CID 22320268

6-bromo-2,3-difluorobenzoic acid

Structural Information

Molecular Formula

C₇H₃BrF₂O₂

SMILES

C1=CC(=C(C(=C1F)F)C(=O)O)Br

InChI

InChI=1S/C7H3BrF2O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

LAIYHMCGMOJBDW-UHFFFAOYSA-N

Compound name

6-bromo-2,3-difluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 235.92845 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.93573	143.9
[M+Na]+	258.91767	146.3
[M+NH4]+	253.96227	147.1
[M+K]+	274.89161	146.8
[M-H]-	234.92117	141.2
[M+Na-2H]-	256.90312	145.4
[M]+	235.92790	142.1
[M]-	235.92900	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe