CID 240550

Stibacetin

Structural Information

Molecular Formula

C₈H₁₀NO₄Sb

SMILES

CC(=O)NC1=CC=C(C=C1)[Sb](=O)(O)O

InChI

InChI=1S/C8H8NO.2H2O.O.Sb/c1-7(10)9-8-5-3-2-4-6-8;;;;/h3-6H,1H3,(H,9,10);2*1H2;;/q;;;;+2/p-2

InChIKey

VCRSJHLUNDQHNW-UHFFFAOYSA-L

Compound name

(4-acetamidophenyl)stibonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 304.96478 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]+	305.97206	159.9
[M+Na]+	327.95400	166.1
[M-H]-	303.95750	160.4
[M+NH4]+	322.99860	176.3
[M+K]+	343.92794	163.7
[M+H-H2O]+	287.96204	153.5
[M+HCOO]-	349.96298	179.9
[M+CH3COO]-	363.97863	183.6
[M+Na-2H]-	325.93945	164.1
[M]+	304.96423	158.8
[M]-	304.96533	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe