CID 61563258

38690-85-6

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CS(=O)(=O)CCC1Cl

InChI

InChI=1S/C5H9ClO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4H2

InChIKey

MLXSGDQKRCHSCX-UHFFFAOYSA-N

Compound name

4-chlorothiane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.00117 Da
Monoisotopic Mass: 0.7
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]+	169.00845	129.5
[M+Na]+	190.99039	141.3
[M+NH4]+	186.03499	140.5
[M+K]+	206.96433	131.3
[M-H]-	166.99389	131.2
[M+Na-2H]-	188.97584	136.1
[M]+	168.00062	132.5
[M]-	168.00172	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe