CID 4138386

2-bromophenylacetyl chloride

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)CC(=O)Cl)Br

InChI

InChI=1S/C8H6BrClO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2

InChIKey

RFPBUXOVSZEMSW-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
Patents: 231.92906 Da
Monoisotopic Mass: 3.1
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]+	232.93634	136.7
[M+Na]+	254.91828	141.6
[M+NH4]+	249.96288	142.5
[M+K]+	270.89222	140.6
[M-H]-	230.92178	137.7
[M+Na-2H]-	252.90373	141.3
[M]+	231.92851	136.8
[M]-	231.92961	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe