CID 65918764

3-(chloromethyl)-1lambda6-thiane-1,1-dione

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02411 131.3
[M+Na]+ 205.00605 139.7
[M-H]- 181.00955 135.1
[M+NH4]+ 200.05065 154.6
[M+K]+ 220.97999 136.6
[M+H-H2O]+ 165.01409 128.3
[M+HCOO]- 227.01503 143.5
[M+CH3COO]- 241.03068 174.2
[M+Na-2H]- 202.99150 135.2
[M]+ 182.01628 132.0
[M]- 182.01738 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.