CID 224899

3-stibonobenzoic acid

Structural Information

Molecular Formula
C7H7O5Sb
SMILES
C1=CC(=CC(=C1)[Sb](=O)(O)O)C(=O)O
InChI
InChI=1S/C7H5O2.2H2O.O.Sb/c8-7(9)6-4-2-1-3-5-6;;;;/h1-2,4-5H,(H,8,9);2*1H2;;/q;;;;+2/p-2
InChIKey
HXNQSKBAJJRUIO-UHFFFAOYSA-L
Compound name
3-stibonobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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

literature stripe

Patent stripe

patents stripe