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392-95-0

2-氯-3,5-二硝基三氟甲苯(392-95-0)质谱(MS)

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

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    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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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