CID 6577

Chloroacetyl chloride

Structural Information

Molecular Formula

SMILES

C(C(=O)Cl)Cl

InChI

InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2

InChIKey

VGCXGMAHQTYDJK-UHFFFAOYSA-N

Compound name

2-chloroacetyl chloride

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 113
References: 61548
Patents: 111.94827 Da
Monoisotopic Mass: 1.4
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]+	112.955546	112.6
[M+Na]+	134.937488	122.6
[M-H]-	110.940994	112.8
[M+NH4]+	129.982093	136.5
[M+K]+	150.911428	119.9
[M+H-H2O]+	94.945530	110.9
[M+HCOO]-	156.946471	127.5
[M+CH3COO]-	170.962121	166.1
[M+Na-2H]-	132.922936	119.6
[M]+	111.94772142	114.9
[M]-	111.94881858	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe