315-14-0

1,3,5-三氟-2-硝基苯(315-14-0)质谱(MS)

产品名称:1,3,5-三氟-2-硝基苯

CAS:315-14-0

分子式:C6H2F3NO2

分子量: 177.08

InChI:InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

InChIKey: PWRFDGYYJWQIAB-UHFFFAOYSA-N

Smiles:C1(F)=CC(F)=CC(F)=C1[N+]([O-])=O

Mass

MS-IW-9332          
1,3,5-trifluoro-2-nitrobenzene
C6H2F3NO2           (Mass of molecular ion:    177)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       9.7
      30.0      94.3
      31.0      14.7
      32.0       1.1
      37.0       3.7
      38.0       1.1
      44.0       1.1
      46.0       8.0
      50.0       2.6
      51.0       5.4
      55.0       1.1
      56.0       2.8
      57.0       4.6
      61.0       7.9
      62.0       8.3
      68.0       5.7
      69.0       9.1
      74.0       3.0
      75.0      13.0
      76.0       1.4
      79.0       2.6
      80.0       9.6
      81.0     100.0
      82.0       6.1
      85.0       1.1
      86.0       2.8
      87.0       2.7
      92.0       2.3
      93.0       4.0
      94.0       1.2
      95.0       1.3
      99.0       7.3
     100.0       2.2
     111.0       1.9
     112.0       3.1
     118.0       1.2
     119.0      38.2
     120.0       2.1
     130.0       7.3
     131.0      41.7
     132.0       2.9
     147.0      53.6
     148.0       3.6
     161.0       8.6
     177.0      86.2
     178.0       6.2
     222.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ F₃ N O₂	0.05 ml : 0.5 ml CDCl₃
1,3,5-trifluoro-2-nitrobenzene

    Assign.     Shift(ppm)

      A             6.917

     Hz     ppm     Int.

   2777.22   6.950    119
   2774.29   6.942    252
   2772.46   6.938    703
   2768.92   6.929    148
   2764.40   6.918   1000
   2759.77   6.906    136
   2756.35   6.897    682
   2754.39   6.893    223
   2751.46   6.885    103

in CDCl3