CID 3732964

883502-07-6

Structural Information

Molecular Formula

C₈H₅BrF₂O₂

SMILES

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

InChI

InChI=1S/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

InChIKey

FQSLXVRCDYUESO-UHFFFAOYSA-N

Compound name

2-(2-bromo-4,5-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 249.9441 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]+	250.95138	148.4
[M+Na]+	272.93332	150.5
[M+NH4]+	267.97792	151.4
[M+K]+	288.90726	150.8
[M-H]-	248.93682	145.6
[M+Na-2H]-	270.91877	149.5
[M]+	249.94355	146.5
[M]-	249.94465	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe