CID 86790

2,3-dibromopropionyl chloride

Structural Information

Molecular Formula

C₃H₃Br₂ClO

SMILES

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

InChI

InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2

InChIKey

HWKWYDXHMQQDQJ-UHFFFAOYSA-N

Compound name

2,3-dibromopropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 452
Patents: 247.82391 Da
Monoisotopic Mass: 2.4
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]+	248.83119	128.7
[M+Na]+	270.81313	140.9
[M-H]-	246.81663	133.2
[M+NH4]+	265.85773	150.1
[M+K]+	286.78707	124.4
[M+H-H2O]+	230.82117	137.9
[M+HCOO]-	292.82211	140.7
[M+CH3COO]-	306.83776	195.1
[M+Na-2H]-	268.79858	135.6
[M]+	247.82336	163.1
[M]-	247.82446	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe