CID 2772223

321971-80-6

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CS(=O)(=O)CC1CCl

InChI

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

InChIKey

UCPALMJXNYQPBD-UHFFFAOYSA-N

Compound name

3-(chloromethyl)thiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.00117 Da
Monoisotopic Mass: 0.6
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	129.3
[M+Na]+	190.99039	139.4
[M-H]-	166.99389	133.6
[M+NH4]+	186.03499	155.1
[M+K]+	206.96433	136.4
[M+H-H2O]+	150.99843	126.8
[M+HCOO]-	212.99937	143.9
[M+CH3COO]-	227.01502	171.0
[M+Na-2H]-	188.97584	132.2
[M]+	168.00062	131.8
[M]-	168.00172	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe