CID 85804

4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide

Structural Information

Molecular Formula

C₃H₅ClO₃S

SMILES

C1C(OS(=O)O1)CCl

InChI

InChI=1S/C3H5ClO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2

InChIKey

RGDJXHLNJJZNGO-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 155.9648 Da
Monoisotopic Mass: 0.6
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]+	156.97208	124.9
[M+Na]+	178.95402	134.8
[M-H]-	154.95752	130.5
[M+NH4]+	173.99862	146.6
[M+K]+	194.92796	135.0
[M+H-H2O]+	138.96206	122.0
[M+HCOO]-	200.96300	138.6
[M+CH3COO]-	214.97865	168.3
[M+Na-2H]-	176.93947	129.3
[M]+	155.96425	129.4
[M]-	155.96535	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe