CID 224905

3-(dihydroxy(oxido)stibino)benzamide

Structural Information

Molecular Formula

C₇H₈NO₄Sb

SMILES

C1=CC(=CC(=C1)[Sb](=O)(O)O)C(=O)N

InChI

InChI=1S/C7H6NO.2H2O.O.Sb/c8-7(9)6-4-2-1-3-5-6;;;;/h1-2,4-5H,(H2,8,9);2*1H2;;/q;;;;+2/p-2

InChIKey

QKMYRCIMBGFCGV-UHFFFAOYSA-L

Compound name

(3-carbamoylphenyl)stibonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 290.94913 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.95641	155.6
[M+Na]+	313.93835	162.2
[M-H]-	289.94185	155.7
[M+NH4]+	308.98295	172.2
[M+K]+	329.91229	159.6
[M+H-H2O]+	273.94639	149.3
[M+HCOO]-	335.94733	175.3
[M+CH3COO]-	349.96298	180.7
[M+Na-2H]-	311.92380	159.2
[M]+	290.94858	153.2
[M]-	290.94968	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe