CID 241750

692-72-8

Structural Information

Molecular Formula

SMILES

CC(=O)OCC(=C)Cl

InChI

InChI=1S/C5H7ClO2/c1-4(6)3-8-5(2)7/h1,3H2,2H3

InChIKey

NPAGADDDGUIURB-UHFFFAOYSA-N

Compound name

2-chloroprop-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 134.01346 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]+	135.02074	123.3
[M+Na]+	157.00268	134.4
[M+NH4]+	152.04728	131.2
[M+K]+	172.97662	129.4
[M-H]-	133.00618	122.1
[M+Na-2H]-	154.98813	127.1
[M]+	134.01291	124.6
[M]-	134.01401	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe