CID 24721390

4-bromo-3-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H4BrF3O2
SMILES
C1=CC(=C(C=C1C(=O)O)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey
GPBPFDPENZHCPR-UHFFFAOYSA-N
Compound name
4-bromo-3-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

267.9347 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94198 156.1
[M+Na]+ 290.92392 156.9
[M+NH4]+ 285.96852 158.1
[M+K]+ 306.89786 157.7
[M-H]- 266.92742 151.5
[M+Na-2H]- 288.90937 156.3
[M]+ 267.93415 153.6
[M]- 267.93525 153.6
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