CID 11379374

2-bromo-3,5-difluorobenzoic acid

Structural Information

Molecular Formula

C₇H₃BrF₂O₂

SMILES

C1=C(C=C(C(=C1C(=O)O)Br)F)F

InChI

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

InChIKey

KBOFTBQUYXDFEF-UHFFFAOYSA-N

Compound name

2-bromo-3,5-difluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 235.92845 Da
Monoisotopic Mass: 2.3
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