1435-51-4

1,3-二溴-5-氟苯(1435-51-4)质谱(MS)

产品名称:1,3-二溴-5-氟苯

CAS:1435-51-4

分子式:C6H3Br2F

分子量: 253.89

InChI:InChI=1S/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N

Smiles:C1(Br)=CC(F)=CC(Br)=C1

Mass

MS-IW-5094          
1,3-dibromo-5-fluorobenzene
C6H3Br2F            (Mass of molecular ion:    252)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.4
      37.0       2.8
      38.0       1.7
      47.0       4.2
      49.0       1.9
      50.0      10.6
      61.0       4.0
      62.0       3.6
      63.0       2.2
      68.0       8.8
      69.0       1.1
      73.0       3.6
      74.0      13.0
      75.0       4.7
      80.0       1.2
      82.0       1.1
      86.0       5.0
      86.5       2.4
      87.0       5.0
      87.5       2.0
      92.0       4.1
      93.0      14.5
      94.0      52.6
      95.0       3.9
     126.0       5.9
     127.0      11.7
     128.0       6.2
     172.0       1.6
     173.0      56.5
     174.0       5.5
     175.0      54.6
     176.0       3.8
     252.0      51.8
     253.0       3.7
     254.0     100.0
     255.0       6.6
     256.0      47.9
     257.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br₂ F	0.05 ml : 0.5 ml CDCl₃
1,3-dibromo-5-fluorobenzene

    Assign.     Shift(ppm)

      A             7.445
      B             7.185

     Hz     ppm     Int.

   2977.54   7.451    444
   2975.95   7.447    697
   2974.98   7.444    677
   2973.39   7.440    382
   2876.34   7.198   1000
   2874.76   7.194    919
   2868.29   7.178    977
   2866.70   7.174    913
   2855.35   7.145     28
   2853.64   7.141     26

in CDCl3