CID 542762

Bromochloroacetic acid

Structural Information

Molecular Formula

C₂H₂BrClO₂

SMILES

C(C(=O)O)(Cl)Br

InChI

InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

GEHJBWKLJVFKPS-UHFFFAOYSA-N

Compound name

2-bromo-2-chloroacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 41
References: 9578
Patents: 171.89267 Da
Monoisotopic Mass: 1.3
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]+	172.89995	120.9
[M+Na]+	194.88189	133.5
[M-H]-	170.88539	123.3
[M+NH4]+	189.92649	144.8
[M+K]+	210.85583	122.3
[M+H-H2O]+	154.88993	123.4
[M+HCOO]-	216.89087	136.5
[M+CH3COO]-	230.90652	172.4
[M+Na-2H]-	192.86734	128.0
[M]+	171.89212	139.7
[M]-	171.89322	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe