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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008446 129.3
[M+Na]+ 190.990388 139.4
[M-H]- 166.993894 133.6
[M+NH4]+ 186.034993 155.1
[M+K]+ 206.964328 136.4
[M+H-H2O]+ 150.998430 126.8
[M+HCOO]- 212.999371 143.9
[M+CH3COO]- 227.015021 171.0
[M+Na-2H]- 188.975836 132.2
[M]+ 168.00062142 131.8
[M]- 168.00171858 131.8
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.