CID 95060

5450-68-0

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

7
Patents

261.95898 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96626 149.6
[M+Na]+ 284.94820 157.3
[M-H]- 260.95170 150.4
[M+NH4]+ 279.99280 168.5
[M+K]+ 300.92214 154.7
[M+H-H2O]+ 244.95624 144.1
[M+HCOO]- 306.95718 169.6
[M+CH3COO]- 320.97283 173.9
[M+Na-2H]- 282.93365 155.2
[M]+ 261.95843 149.0
[M]- 261.95953 149.0
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