CID 95060

P-toluenestibonic acid

Structural Information

Molecular Formula
C7H9O3Sb
SMILES
CC1=CC=C(C=C1)[Sb](=O)(O)O
InChI
InChI=1S/C7H7.2H2O.O.Sb/c1-7-5-3-2-4-6-7;;;;/h3-6H,1H3;2*1H2;;/q;;;;+2/p-2
InChIKey
DWALBVRONLAVEF-UHFFFAOYSA-L
Compound name
(4-methylphenyl)stibonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

261.95898 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96626 145.8
[M+Na]+ 284.94820 157.1
[M+NH4]+ 279.99280 152.8
[M+K]+ 300.92214 151.9
[M-H]- 260.95170 145.6
[M+Na-2H]- 282.93365 150.6
[M]+ 261.95843 147.1
[M]- 261.95953 147.1
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

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