CID 5351653

3-(3-(dihydroxyoxidostibino)phenyl)-2-propenoic acid

Structural Information

Molecular Formula
C9H9O5Sb
SMILES
C1=CC(=CC(=C1)[Sb](=O)(O)O)/C=C/C(=O)O
InChI
InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
InChIKey
ZTQRMGDLUGQTTF-MNPOOLNOSA-L
Compound name
(E)-3-(3-stibonophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

317.94882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.95610 162.5
[M+Na]+ 340.93804 169.0
[M-H]- 316.94154 161.5
[M+NH4]+ 335.98264 177.9
[M+K]+ 356.91198 165.5
[M+H-H2O]+ 300.94608 156.5
[M+HCOO]- 362.94702 180.1
[M+CH3COO]- 376.96267 180.4
[M+Na-2H]- 338.92349 165.5
[M]+ 317.94827 161.4
[M]- 317.94937 161.4
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