3-Bromo-1,1,1-trifluoroacetone (431-35-6) IR1
Product Name3-Bromo-1,1,1-trifluoroacetone
CAS431-35-6
Molecular FormulaC3H2BrF3O
Molecular Weight190.95
InChIInChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey ONZQYZKCUHFORE-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(=O)CBr
-
MassMS-NW-8816 3-bromo-1,1,1-trifluoroacetone C3H2BrF3O (Mass of molecular ion: 190)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
13.0 1.1 14.0 4.0 17.0 7.3 18.0 36.3 28.0 2.4 29.0 1.0 31.0 3.7 33.0 8.3 41.0 2.9 42.0 26.5 43.0 1.3 45.0 1.3 47.0 1.0 49.0 1.0 50.0 3.7 51.0 1.5 61.0 6.6 63.0 1.2 69.0 38.3 75.0 1.1 77.0 2.4 79.0 3.8 80.0 1.2 81.0 3.3 82.0 1.2 83.0 3.0 91.0 1.7 92.0 2.7 93.0 32.8 94.0 3.0 95.0 30.6 120.0 2.6 121.0 100.0 122.0 4.8 123.0 97.7 124.0 2.2 169.0 1.5 171.0 1.4 173.0 2.6 175.0 1.2 199.0 2.1 201.0 4.1 203.0 2.0
parameter in CDCl3
-
1H NMR 300 MHz C3 H2 Br F3 O 0.05 ml : 0.5 ml CDCl3 3-bromo-1,1,1-trifluoroacetone 
Parameter ppm Hz
D(A) 4.275 J(A,F-19) 0.6
Hz ppm Int.1282.75 4.276 1000 1282.25 4.274 1000
in CDCl3
liquid film
