CID 82156

Vinyl chloroacetate

Structural Information

Molecular Formula

SMILES

C=COC(=O)CCl

InChI

InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2

InChIKey

XJELOQYISYPGDX-UHFFFAOYSA-N

Compound name

ethenyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 14938
Patents: 119.99781 Da
Monoisotopic Mass: 1.2
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]+	121.00509	118.6
[M+Na]+	142.98703	130.2
[M+NH4]+	138.03163	126.8
[M+K]+	158.96097	124.6
[M-H]-	118.99053	117.6
[M+Na-2H]-	140.97248	123.0
[M]+	119.99726	120.0
[M]-	119.99836	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe