15879-93-3

α-Chloralose(15879-93-3) IR2

Product Nameα-Chloralose

CAS 15879-93-3

Molecular FormulaC8H11Cl3O6

Molecular Weight309.53

InChIInChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/s3

InChIKey OJYGBLRPYBAHRT-WGURAVEQNA-N

Smiles[C@H]12O[C@@H](C(Cl)(Cl)Cl)O[C@H]1O[C@H]([C@H](O)CO)[C@@H]2O |&1:0,2,8,10,11,15,r|

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α-Chloralose(15879-93-3) IR2
Mass

MS-IW-2511          
alpha-chloralose
C8H11Cl3O6          (Mass of molecular ion:    308)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       5.4
      19.0       9.6
      26.0       1.1
      27.0       8.2
      28.0       2.7
      29.0      16.9
      30.0       2.2
      31.0      22.8
      36.0       4.1
      38.0       1.4
      39.0       4.2
      41.0       8.7
      42.0       4.6
      43.0      25.6
      44.0       7.5
      45.0      16.4
      47.0       2.6
      48.0       1.7
      49.0       1.9
      53.0       2.2
      54.0       3.7
      55.0       7.5
      56.0       4.4
      57.0      17.7
      58.0       1.7
      59.0       8.6
      60.0      32.9
      61.0      43.6
      62.0       1.5
      63.0       1.4
      65.0       1.1
      68.0       1.8
      69.0      10.7
      70.0       1.1
      71.0     100.0
      72.0      23.7
      73.0      91.3
      74.0       8.8
      75.0       1.6
      76.0       1.2
      77.0       1.7
      81.0       2.0
      82.0       1.3
      83.0       7.8
      84.0       3.4
      85.0      40.9
      86.0       3.2
      87.0       1.9
      89.0       3.4
      91.0      34.7
      92.0       1.3
      93.0       1.4
      95.0       2.0
      96.0       1.1
      97.0       6.2
      98.0       1.4
      99.0       4.3
     101.0      13.6
     102.0       4.7
     103.0       4.8
     109.0       2.2
     111.0       3.6
     112.0       4.5
     113.0      54.8
     114.0       5.4
     115.0       4.1
     117.0       2.1
     119.0       5.1
     120.0      14.9
     121.0       1.5
     125.0       3.0
     127.0      15.8
     128.0       1.1
     129.0       1.8
     130.0       1.5
     131.0      12.1
     132.0       1.5
     143.0       1.1
     145.0       6.1
     152.0       2.6
     153.0       4.4
     154.0       3.2
     155.0       6.0
     156.0       1.4
     157.0       1.6
     161.0       1.1
     173.0       4.0
     183.0       1.6
     185.0       1.1
     188.0      14.5
     189.0       3.9
     190.0      13.9
     191.0      15.5
     192.0       4.9
     193.0       1.2
     195.0       1.1
     201.0       5.2
     203.0       4.9
     205.0       1.6
     213.0       1.3
     217.0       4.8
     218.0       1.1
     219.0       4.7
     221.0       1.7
     229.0       1.5
     230.0       7.7
     231.0       2.6
     232.0       7.5
     233.0       1.5
     234.0       2.4
     247.0      12.1
     248.0       1.0
     249.0      11.5
     251.0       3.8
     259.0       1.2
     261.0       1.2
     277.0       1.6
     279.0       1.5