CID 89602

Bromoacetyl chloride

Structural Information

Molecular Formula

SMILES

C(C(=O)Cl)Br

InChI

InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2

InChIKey

SYZRZLUNWVNNNV-UHFFFAOYSA-N

Compound name

2-bromoacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 6120
Patents: 155.89775 Da
Monoisotopic Mass: 1.6
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]+	156.90503	117.2
[M+Na]+	178.88697	130.6
[M-H]-	154.89047	120.9
[M+NH4]+	173.93157	142.5
[M+K]+	194.86091	119.6
[M+H-H2O]+	138.89501	119.8
[M+HCOO]-	200.89595	134.9
[M+CH3COO]-	214.91160	172.3
[M+Na-2H]-	176.87242	126.1
[M]+	155.89720	137.1
[M]-	155.89830	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe