CID 138422

Methyl (2z)-3-chloroprop-2-enoate

Structural Information

Molecular Formula

SMILES

COC(=O)C=CCl

InChI

InChI=1S/C4H5ClO2/c1-7-4(6)2-3-5/h2-3H,1H3

InChIKey

ZLDNFLVIPPOXQL-UHFFFAOYSA-N

Compound name

methyl 3-chloroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 119.99781 Da
Monoisotopic Mass: 1.0
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	118.7
[M+Na]+	142.98703	130.3
[M+NH4]+	138.03163	126.9
[M+K]+	158.96097	124.8
[M-H]-	118.99053	117.8
[M+Na-2H]-	140.97248	123.1
[M]+	119.99726	120.1
[M]-	119.99836	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe