CID 6227

Bromoacetic acid

Structural Information

Molecular Formula

SMILES

C(C(=O)O)Br

InChI

InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

KDPAWGWELVVRCH-UHFFFAOYSA-N

Compound name

2-bromoacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 237
References: 26146
Patents: 137.93164 Da
Monoisotopic Mass: 0.4
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]+	138.93892	117.7
[M+Na]+	160.92086	119.2
[M+NH4]+	155.96546	122.1
[M+K]+	176.89480	121.1
[M-H]-	136.92436	115.4
[M+Na-2H]-	158.90631	119.1
[M]+	137.93109	115.8
[M]-	137.93219	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe