CID 10423819

95728-57-7

Structural Information

Molecular Formula
C10H8BrF3O
SMILES
CC(C(=O)C1=CC=C(C=C1)C(F)(F)F)Br
InChI
InChI=1S/C10H8BrF3O/c1-6(11)9(15)7-2-4-8(5-3-7)10(12,13)14/h2-6H,1H3
InChIKey
NFXCMWCJLDRJIM-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

279.97107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97835 154.0
[M+Na]+ 302.96029 165.4
[M-H]- 278.96379 156.7
[M+NH4]+ 298.00489 173.6
[M+K]+ 318.93423 154.0
[M+H-H2O]+ 262.96833 152.1
[M+HCOO]- 324.96927 169.6
[M+CH3COO]- 338.98492 195.9
[M+Na-2H]- 300.94574 158.0
[M]+ 279.97052 168.6
[M]- 279.97162 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe