CID 11745396

54322-20-2

Structural Information

Molecular Formula
C4H9ClO4S
SMILES
C(CC(O)S(=O)(=O)O)CCl
InChI
InChI=1S/C4H9ClO4S/c5-3-1-2-4(6)10(7,8)9/h4,6H,1-3H2,(H,7,8,9)
InChIKey
WEHBFUIMHBXIDH-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxybutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

187.99101 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99829 132.7
[M+Na]+ 210.98023 140.7
[M-H]- 186.98373 130.9
[M+NH4]+ 206.02483 152.3
[M+K]+ 226.95417 137.5
[M+H-H2O]+ 170.98827 130.0
[M+HCOO]- 232.98921 143.0
[M+CH3COO]- 247.00486 171.1
[M+Na-2H]- 208.96568 135.8
[M]+ 187.99046 136.4
[M]- 187.99156 136.4
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

patents stripe