CID 224909

Methyl 3-(dihydroxy(oxido)stibino)benzoate

Structural Information

Molecular Formula
C8H9O5Sb
SMILES
COC(=O)C1=CC(=CC=C1)[Sb](=O)(O)O
InChI
InChI=1S/C8H7O2.2H2O.O.Sb/c1-10-8(9)7-5-3-2-4-6-7;;;;/h2-3,5-6H,1H3;2*1H2;;/q;;;;+2/p-2
InChIKey
PQZQRBOILLRBFI-UHFFFAOYSA-L
Compound name
(3-methoxycarbonylphenyl)stibonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.94882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95610 158.6
[M+Na]+ 328.93804 165.6
[M-H]- 304.94154 159.2
[M+NH4]+ 323.98264 175.3
[M+K]+ 344.91198 163.9
[M+H-H2O]+ 288.94608 152.5
[M+HCOO]- 350.94702 177.8
[M+CH3COO]- 364.96267 180.6
[M+Na-2H]- 326.92349 162.6
[M]+ 305.94827 159.7
[M]- 305.94937 159.7
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

patents stripe