CID 84944

3-bromopropionyl chloride

Structural Information

Molecular Formula

SMILES

C(CBr)C(=O)Cl

InChI

InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2

InChIKey

IHBVNSPHKMCPST-UHFFFAOYSA-N

Compound name

3-bromopropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2582
Patents: 169.9134 Da
Monoisotopic Mass: 1.5
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]+	170.92068	121.9
[M+Na]+	192.90262	134.9
[M-H]-	168.90612	125.5
[M+NH4]+	187.94722	146.7
[M+K]+	208.87656	123.7
[M+H-H2O]+	152.91066	124.3
[M+HCOO]-	214.91160	139.3
[M+CH3COO]-	228.92725	175.2
[M+Na-2H]-	190.88807	130.3
[M]+	169.91285	142.1
[M]-	169.91395	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe