CID 2778430

2-bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C9H6BrF3O
SMILES
C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F
InChI
InChI=1S/C9H6BrF3O/c10-5-8(14)6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2
InChIKey
KWZCBMKXNYOQAK-UHFFFAOYSA-N
Compound name
2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

265.9554 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.962676 149.4
[M+Na]+ 288.944618 161.4
[M-H]- 264.948124 152.1
[M+NH4]+ 283.989223 169.6
[M+K]+ 304.918558 149.8
[M+H-H2O]+ 248.952660 147.5
[M+HCOO]- 310.953601 166.2
[M+CH3COO]- 324.969251 192.3
[M+Na-2H]- 286.930066 155.0
[M]+ 265.95485142 164.2
[M]- 265.95594858 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe