CID 17165

Epichlorohydrin carbonate

Structural Information

Molecular Formula

SMILES

C1COC(=O)OC1Cl

InChI

InChI=1S/C4H5ClO3/c5-3-1-2-7-4(6)8-3/h3H,1-2H2

InChIKey

HSONPEIWAFGLCA-UHFFFAOYSA-N

Compound name

4-chloro-1,3-dioxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 48
Patents: 135.99272 Da
Monoisotopic Mass: 1.4
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]+	136.999996	120.4
[M+Na]+	158.981938	128.7
[M-H]-	134.985444	125.2
[M+NH4]+	154.026543	140.4
[M+K]+	174.955878	129.6
[M+H-H2O]+	118.989980	116.5
[M+HCOO]-	180.990921	136.6
[M+CH3COO]-	195.006571	167.6
[M+Na-2H]-	156.967386	129.2
[M]+	135.99217142	121.3
[M]-	135.99326858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe