CID 70225

4-bromobutyryl chloride

Structural Information

Molecular Formula

SMILES

C(CC(=O)Cl)CBr

InChI

InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2

InChIKey

LRTRXDSAJLSRTG-UHFFFAOYSA-N

Compound name

4-bromobutanoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3385
Patents: 183.92906 Da
Monoisotopic Mass: 1.8
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]+	184.93634	126.6
[M+Na]+	206.91828	139.3
[M-H]-	182.92178	130.0
[M+NH4]+	201.96288	150.9
[M+K]+	222.89222	127.7
[M+H-H2O]+	166.92632	128.8
[M+HCOO]-	228.92726	143.7
[M+CH3COO]-	242.94291	178.0
[M+Na-2H]-	204.90373	134.4
[M]+	183.92851	147.2
[M]-	183.92961	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe