392-95-0

2-氯-3,5-二硝基三氟甲苯(392-95-0)红外图谱(IR2)

产品名称:2-氯-3,5-二硝基三氟甲苯

CAS:392-95-0

分子式:C7H2ClF3N2O4

分子量: 270.55

InChI:InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H

InChIKey: RLXKADBMLQPLDV-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC([N+]([O-])=O)=CC(C(F)(F)F)=C1Cl

Mass

MS-NW-8798          
2-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene
C7H2ClF3N2O4        (Mass of molecular ion:    270)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.9
      28.0       4.4
      30.0     100.0
      31.0       1.5
      37.0       1.3
      38.0       1.2
      46.0       7.0
      50.0       3.5
      53.0       3.0
      61.0       2.5
      62.0       2.6
      69.0      13.7
      72.0       1.1
      73.0       3.2
      74.0      16.5
      75.0       8.7
      81.0       3.3
      84.0       2.4
      85.0       2.7
      86.0       1.2
      87.0       1.8
      88.0       1.5
      91.0       1.4
      92.0       2.7
      93.0       9.4
      97.0       6.3
      99.0       4.7
     108.0       2.3
     109.0       8.8
     110.0       1.6
     111.0       3.3
     117.0       1.5
     119.0       1.1
     123.0       3.9
     128.0       1.8
     130.0       1.3
     131.0       4.8
     142.0       1.0
     143.0      57.4
     144.0       5.5
     147.0       2.9
     157.0       1.1
     159.0       4.5
     160.0       1.4
     161.0       1.5
     166.0       9.2
     168.0       3.0
     175.0       3.1
     177.0      12.2
     178.0      34.7
     179.0       7.0
     180.0      11.7
     181.0       1.2
     194.0       2.9
     224.0       2.1
     240.0       2.6
     251.0       6.1
     253.0       2.0
     254.0       2.2
     270.0      73.7
     271.0       6.4
     272.0      24.7
     273.0       2.1

in CDCl3