2,4,5-Trifluorobenzoyl chloride(88419-56-1) MS
Product Name2,4,5-Trifluorobenzoyl chloride
CAS88419-56-1
Molecular FormulaC7H2ClF3O
Molecular Weight194.54
InChIInChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H
InChIKey STBGCAUUOPNJBH-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC(F)=C(F)C=C1F
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MassMS-IW-9722 2,4,5-trifluorobenzoyl chloride C7H2ClF3O (Mass of molecular ion: 194)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.5 31.0 5.0 36.0 1.5 37.0 1.7 50.0 1.0 56.0 1.7 57.0 1.2 61.0 3.7 62.0 3.6 68.0 1.7 74.0 1.0 75.0 3.5 79.0 1.1 79.5 6.2 80.0 4.1 81.0 29.2 82.0 1.6 87.0 1.1 92.0 1.1 99.0 2.3 112.0 1.5 130.0 2.0 131.0 41.1 132.0 2.9 157.0 1.3 159.0 100.0 160.0 7.6 176.0 1.5 194.0 3.5 196.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H2 Cl F3 O 0.05 ml : 0.5 ml CDCl3 2,4,5-trifluorobenzoyl chloride 
Assign. Shift(ppm)
A 8.007 B 7.120
Hz ppm Int.3212.77 8.039 493 3212.40 8.039 495 3206.18 8.023 537 3205.81 8.022 536 3204.22 8.018 564 3203.86 8.017 554 3202.64 8.014 564 3202.27 8.013 550 3197.63 8.002 559 3197.27 8.001 549 3196.04 7.998 573 3195.68 7.997 553 3194.09 7.993 544 3187.50 7.976 505 2858.64 7.153 514 2858.28 7.152 505 2852.42 7.138 556 2848.75 7.129 983 2845.46 7.120 114 2842.53 7.113 1000 2838.87 7.104 540 2833.01 7.089 566
in CDCl3
liquid film
