CID 65918764

1481109-28-7

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

C1CC(CS(=O)(=O)C1)CCl

InChI

InChI=1S/C6H11ClO2S/c7-4-6-2-1-3-10(8,9)5-6/h6H,1-5H2

InChIKey

QQJVSMPQCSJRTE-UHFFFAOYSA-N

Compound name

3-(chloromethyl)thiane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.01683 Da
Monoisotopic Mass: 0.9
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]+	183.024106	131.3
[M+Na]+	205.006048	139.7
[M-H]-	181.009554	135.1
[M+NH4]+	200.050653	154.6
[M+K]+	220.979988	136.6
[M+H-H2O]+	165.014090	128.3
[M+HCOO]-	227.015031	143.5
[M+CH3COO]-	241.030681	174.2
[M+Na-2H]-	202.991496	135.2
[M]+	182.01628142	132.0
[M]-	182.01737858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.