CID 224900

4-(dihydroxy(oxido)stibino)benzoic acid

Structural Information

Molecular Formula
C7H7O5Sb
SMILES
C1=CC(=CC=C1C(=O)O)[Sb](=O)(O)O
InChI
InChI=1S/C7H5O2.2H2O.O.Sb/c8-7(9)6-4-2-1-3-5-6;;;;/h2-5H,(H,8,9);2*1H2;;/q;;;;+2/p-2
InChIKey
SNLCJKPCYRNMPN-UHFFFAOYSA-L
Compound name
4-stibonobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

291.93317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.94045 154.4
[M+Na]+ 314.92239 161.3
[M-H]- 290.92589 153.7
[M+NH4]+ 309.96699 170.8
[M+K]+ 330.89633 158.9
[M+H-H2O]+ 274.93043 148.6
[M+HCOO]- 336.93137 172.4
[M+CH3COO]- 350.94702 175.9
[M+Na-2H]- 312.90784 158.4
[M]+ 291.93262 153.4
[M]- 291.93372 153.4
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