CID 61563258

38690-85-6

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
C1CS(=O)(=O)CCC1Cl
InChI
InChI=1S/C5H9ClO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4H2
InChIKey
MLXSGDQKRCHSCX-UHFFFAOYSA-N
Compound name
4-chlorothiane 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 126.9
[M+Na]+ 190.990388 135.7
[M-H]- 166.993894 130.8
[M+NH4]+ 186.034993 150.7
[M+K]+ 206.964328 132.9
[M+H-H2O]+ 150.998430 124.0
[M+HCOO]- 212.999371 139.4
[M+CH3COO]- 227.015021 171.2
[M+Na-2H]- 188.975836 131.3
[M]+ 168.00062142 127.2
[M]- 168.00171858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe