CID 11135

Neostibosan

Structural Information

Molecular Formula

C₆H₈NO₃Sb

SMILES

C1=CC(=CC=C1N)[Sb](=O)(O)O

InChI

InChI=1S/C6H6N.2H2O.O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-5H,7H2;2*1H2;;/q;;;;+2/p-2

InChIKey

NLPWTTIYIIOESZ-UHFFFAOYSA-L

Compound name

(4-aminophenyl)stibonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 456
Patents: 262.95422 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]+	263.96150	149.5
[M+Na]+	285.94344	156.6
[M-H]-	261.94694	149.7
[M+NH4]+	280.98804	167.5
[M+K]+	301.91738	153.8
[M+H-H2O]+	245.95148	143.6
[M+HCOO]-	307.95242	170.1
[M+CH3COO]-	321.96807	175.3
[M+Na-2H]-	283.92889	154.8
[M]+	262.95367	146.6
[M]-	262.95477	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe