65753-47-1

2-氯-3-三氟甲基吡啶(65753-47-1)质谱(MS)

产品名称:2-氯-3-三氟甲基吡啶

CAS:65753-47-1

分子式:C6H3ClF3N

分子量: 181.54

InChI:InChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H

InChIKey: RXATZPCCMYMPME-UHFFFAOYSA-N

Smiles:C1(Cl)=NC=CC=C1C(F)(F)F

Mass

MS-IW-2145          
2-chloro-3-(trifluoromethyl)pyridine
C6H3ClF3N           (Mass of molecular ion:    181)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       2.1
      28.0       1.0
      31.0       2.8
      37.0       1.5
      38.0       1.9
      39.0       1.6
      49.0       2.2
      50.0       8.2
      51.0       6.6
      52.0       1.4
      57.0       1.5
      62.0       1.1
      69.0      18.0
      70.0       1.4
      74.0       1.0
      75.0       9.1
      76.0       9.0
      77.0       2.1
      81.0       1.1
      84.0       1.0
      85.0       3.1
      87.0       1.3
      93.0       2.0
      95.0       1.0
      96.0       4.5
      99.0       3.2
     100.0       2.3
     112.0       1.8
     119.0       4.6
     120.0       1.9
     126.0      27.9
     127.0       2.7
     146.0     100.0
     147.0       7.1
     162.0       8.6
     164.0       2.9
     181.0      95.7
     182.0       6.7
     183.0      30.9
     184.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl F₃ N	0.056 g : 0.5 ml CDCl₃
2-chloro-3-(trifluoromethyl)pyridine

    Assign.     Shift(ppm)

      A             8.592
      B             8.046
      C             7.407

     Hz     ppm     Int.

   3436.52   8.599    812
   3435.18   8.596    873
   3431.76   8.587    885
   3430.42   8.584    898
   3220.46   8.059    893
   3219.85   8.057    877
   3218.51   8.054    943
   3212.65   8.039    965
   3212.16   8.038    951
   3210.82   8.035   1000
   2967.04   7.425    764
   2966.31   7.423    764
   2962.16   7.412    794
   2961.43   7.411    787
   2959.23   7.405    797
   2958.50   7.403    773
   2954.35   7.393    739
   2953.74   7.391    719

in CDCl3