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

Mass
MS-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 | |
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Parameter ppm Hz |
Hz ppm Int.
1282.75 4.276 1000 1282.25 4.274 1000
in CDCl3

liquid film


3-Bromo-1,1,1-trifluoroacetone (431-35-6) MS Atlas of Related Products