CID 69366

Chloromethyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OCCl

InChI

InChI=1S/C3H5ClO2/c1-3(5)6-2-4/h2H2,1H3

InChIKey

SMJYMSAPPGLBAR-UHFFFAOYSA-N

Compound name

chloromethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1716
Patents: 107.99781 Da
Monoisotopic Mass: 0.8
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]+	109.00509	114.7
[M+Na]+	130.98703	126.5
[M+NH4]+	126.03163	123.3
[M+K]+	146.96097	121.2
[M-H]-	106.99053	114.0
[M+Na-2H]-	128.97248	119.5
[M]+	107.99726	116.3
[M]-	107.99836	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe