CID 3057484

74039-50-2

Structural Information

Molecular Formula

C₅H₈Cl₂O₃S

SMILES

C=C(COS(=O)OCCCl)Cl

InChI

InChI=1S/C5H8Cl2O3S/c1-5(7)4-10-11(8)9-3-2-6/h1-4H2

InChIKey

YIEGUWJPXJLLLZ-UHFFFAOYSA-N

Compound name

2-chloroethyl 2-chloroprop-2-enyl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.95712 Da
Monoisotopic Mass: 1.8
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]+	218.96440	136.6
[M+Na]+	240.94634	144.9
[M-H]-	216.94984	137.1
[M+NH4]+	235.99094	156.8
[M+K]+	256.92028	141.5
[M+H-H2O]+	200.95438	134.2
[M+HCOO]-	262.95532	145.0
[M+CH3COO]-	276.97097	182.5
[M+Na-2H]-	238.93179	137.7
[M]+	217.95657	143.7
[M]-	217.95767	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.