CID 3584690

5-bromo-2-fluorophenylacetic acid

Structural Information

Molecular Formula

C₈H₆BrFO₂

SMILES

C1=CC(=C(C=C1Br)CC(=O)O)F

InChI

InChI=1S/C8H6BrFO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

WSWMCZBGQYAYIS-UHFFFAOYSA-N

Compound name

2-(5-bromo-2-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 231.95352 Da
Monoisotopic Mass: 2.2
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]+	232.96080	141.2
[M+Na]+	254.94274	143.9
[M+NH4]+	249.98734	145.1
[M+K]+	270.91668	144.3
[M-H]-	230.94624	139.8
[M+Na-2H]-	252.92819	143.6
[M]+	231.95297	139.8
[M]-	231.95407	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe