401-99-0

3,5-Dinitrobenzotrifluoride(401-99-0) IR1

Product Name3,5-Dinitrobenzotrifluoride

CAS 401-99-0

Molecular FormulaC7H3F3N2O4

Molecular Weight236.11

InChIInChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

InChIKey QZADIXWDDVQVKM-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1

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IR1

IR2

3,5-Dinitrobenzotrifluoride(401-99-0) IR1
Mass

MS2001-00886WA      
3,5-dinitrobenzotrifluoride
C7H3F3N2O4          (Mass of molecular ion:    236)

   Source Temperature: 235 °C
   Sample Temperature: 300 °C
   Reservoir, 70 eV

      30.0      36.4
      38.0       1.7
      44.0       1.8
      46.0       1.9
      50.0       5.5
      57.0       2.1
      61.0       1.4
      62.0       2.7
      63.0       8.6
      64.0       1.0
      69.0       5.4
      73.0       1.5
      74.0      12.6
      75.0      29.6
      76.0       2.3
      81.0       1.8
      88.0       1.2
      92.0       1.0
      93.0       3.5
      94.0       8.6
      99.0       2.4
     107.0       1.4
     112.0       1.5
     118.0       1.7
     123.0       4.8
     124.0       1.5
     125.0      16.8
     126.0       2.8
     132.0      11.0
     141.0       1.2
     143.0      71.5
     144.0      50.6
     145.0       4.6
     160.0      26.8
     161.0       2.2
     171.0       2.5
     190.0      20.0
     191.0       1.7
     217.0      22.2
     218.0       1.9
     220.0       3.3
     236.0     100.0
     237.0       8.1
     238.0       1.1

KBr disk