CID 14872246

58474-58-1

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CC(S(=O)(=O)C1)CCl

InChI

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

InChIKey

LODJXYRWLRCSQQ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)thiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	131.5
[M+Na]+	190.99039	142.0
[M+NH4]+	186.03499	142.0
[M+K]+	206.96433	134.0
[M-H]-	166.99389	132.3
[M+Na-2H]-	188.97584	136.8
[M]+	168.00062	133.9
[M]-	168.00172	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.