CID 47002530

1221722-37-7

Structural Information

Molecular Formula

C₅H₉ClO₄S₂

SMILES

C1CS(=O)(=O)CCC1S(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO4S2/c6-12(9,10)5-1-3-11(7,8)4-2-5/h5H,1-4H2

InChIKey

VVMQCBWGPRBGDH-UHFFFAOYSA-N

Compound name

1,1-dioxothiane-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 231.96307 Da
Monoisotopic Mass: 0.3
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]+	232.97035	140.4
[M+Na]+	254.95229	149.0
[M-H]-	230.95579	143.9
[M+NH4]+	249.99689	161.3
[M+K]+	270.92623	145.0
[M+H-H2O]+	214.96033	137.9
[M+HCOO]-	276.96127	146.5
[M+CH3COO]-	290.97692	179.0
[M+Na-2H]-	252.93774	144.3
[M]+	231.96252	142.5
[M]-	231.96362	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe