CID 299579

Phenylstibonic acid

Structural Information

Molecular Formula
C6H7O3Sb
SMILES
C1=CC=C(C=C1)[Sb](=O)(O)O
InChI
InChI=1S/C6H5.2H2O.O.Sb/c1-2-4-6-5-3-1;;;;/h1-5H;2*1H2;;/q;;;;+2/p-2
InChIKey
KXPRPCQZFKDEGH-UHFFFAOYSA-L
Compound name
phenylstibonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

247.94333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95061 145.6
[M+Na]+ 270.93255 152.8
[M-H]- 246.93605 146.1
[M+NH4]+ 265.97715 164.7
[M+K]+ 286.90649 150.3
[M+H-H2O]+ 230.94059 140.0
[M+HCOO]- 292.94153 165.9
[M+CH3COO]- 306.95718 169.7
[M+Na-2H]- 268.91800 152.4
[M]+ 247.94278 144.2
[M]- 247.94388 144.2
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

patents stripe