CID 9855518

80841-78-7

Structural Information

Molecular Formula

SMILES

CC1=C(OC(=O)O1)CCl

InChI

InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3

InChIKey

QCLFSYYUWPUWQR-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-5-methyl-1,3-dioxol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1300
Patents: 147.99272 Da
Monoisotopic Mass: 1.1
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]+	149.00000	121.4
[M+Na]+	170.98194	135.1
[M+NH4]+	166.02654	130.0
[M+K]+	186.95588	131.9
[M-H]-	146.98544	125.0
[M+Na-2H]-	168.96739	126.7
[M]+	147.99217	124.6
[M]-	147.99327	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe