CID 408518

4-(dihydroxy(oxido)stibino)benzenesulfonic acid

Structural Information

Molecular Formula
C6H7O6SSb
SMILES
C1=CC(=CC=C1S(=O)(=O)O)[Sb](=O)(O)O
InChI
InChI=1S/C6H5O3S.2H2O.O.Sb/c7-10(8,9)6-4-2-1-3-5-6;;;;/h2-5H,(H,7,8,9);2*1H2;;/q;;;;+2/p-2
InChIKey
LQJCHMQWZFLGOQ-UHFFFAOYSA-L
Compound name
4-stibonobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.90015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.90743 161.7
[M+Na]+ 350.88937 169.2
[M-H]- 326.89287 161.1
[M+NH4]+ 345.93397 177.0
[M+K]+ 366.86331 165.7
[M+H-H2O]+ 310.89741 156.1
[M+HCOO]- 372.89835 174.5
[M+CH3COO]- 386.91400 177.9
[M+Na-2H]- 348.87482 165.8
[M]+ 327.89960 163.2
[M]- 327.90070 163.2
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

No patent data available for this compound.