2,2',4'-Trichloroacetophenone(4252-78-2) IR2
Product Name2,2',4'-Trichloroacetophenone
CAS4252-78-2
Molecular FormulaC8H5Cl3O
Molecular Weight223.48
InChIInChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey VYWPPRLJNVHPEU-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(Cl)C=C1Cl)CCl
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MassMS-NW-8929 2,2',4'-trichloroacetophenone C8H5Cl3O (Mass of molecular ion: 222)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
42.0 1.3 49.0 1.8 50.0 3.1 51.0 1.2 62.0 1.4 63.0 2.1 73.0 2.4 74.0 9.0 75.0 10.1 84.0 2.4 85.0 2.0 86.0 1.3 87.0 1.3 89.0 2.0 99.0 1.1 109.0 12.4 110.0 4.6 111.0 4.6 112.0 1.4 123.0 2.4 124.0 1.0 145.0 21.2 146.0 1.9 147.0 13.5 148.0 1.0 149.0 2.2 159.0 3.2 161.0 1.9 173.0 100.0 174.0 7.8 175.0 64.2 176.0 5.0 177.0 10.5
in CDCl3
KBr disc
nujol mull
