CID 55280143

113309-30-1

Structural Information

Molecular Formula
C4H9ClO3S
SMILES
C(CCS(=O)(=O)Cl)CO
InChI
InChI=1S/C4H9ClO3S/c5-9(7,8)4-2-1-3-6/h6H,1-4H2
InChIKey
FQAOPDLWXLMVDV-UHFFFAOYSA-N
Compound name
4-hydroxybutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.9961 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00338 130.0
[M+Na]+ 194.98532 139.0
[M-H]- 170.98882 129.7
[M+NH4]+ 190.02992 151.1
[M+K]+ 210.95926 135.7
[M+H-H2O]+ 154.99336 127.2
[M+HCOO]- 216.99430 142.6
[M+CH3COO]- 231.00995 170.8
[M+Na-2H]- 192.97077 134.4
[M]+ 171.99555 134.7
[M]- 171.99665 134.7
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.