CID 91647482

1803588-15-9

Structural Information

Molecular Formula

C₃H₅ClO₄S₂

SMILES

C1C(CS1(=O)=O)S(=O)(=O)Cl

InChI

InChI=1S/C3H5ClO4S2/c4-10(7,8)3-1-9(5,6)2-3/h3H,1-2H2

InChIKey

LVCARDDRNNNFBO-UHFFFAOYSA-N

Compound name

1,1-dioxothietane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.93178 Da
Monoisotopic Mass: -0.4
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]+	204.93906	123.1
[M+Na]+	226.92100	130.6
[M-H]-	202.92450	126.6
[M+NH4]+	221.96560	138.2
[M+K]+	242.89494	129.9
[M+H-H2O]+	186.92904	115.1
[M+HCOO]-	248.92998	130.4
[M+CH3COO]-	262.94563	178.2
[M+Na-2H]-	224.90645	127.5
[M]+	203.93123	135.7
[M]-	203.93233	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.