CID 55280143

4-hydroxybutane-1-sulfonyl chloride

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]+ 173.003376 130.0
[M+Na]+ 194.985318 139.0
[M-H]- 170.988824 129.7
[M+NH4]+ 190.029923 151.1
[M+K]+ 210.959258 135.7
[M+H-H2O]+ 154.993360 127.2
[M+HCOO]- 216.994301 142.6
[M+CH3COO]- 231.009951 170.8
[M+Na-2H]- 192.970766 134.4
[M]+ 171.99555142 134.7
[M]- 171.99664858 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

literature stripe

Patent stripe

No patent data available for this compound.