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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.