CID 16683035

((2-stibonophenyl)thio)acetic acid

Structural Information

Molecular Formula

C₈H₇O₃SSb

SMILES

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

InChI

InChI=1S/C8H8O3S.Sb/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4,9H,5H2,(H,10,11);/q;+1/p-1

InChIKey

HWIAINAHEFAXSD-UHFFFAOYSA-M

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.9154 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]+	304.92268	159.9
[M+Na]+	326.90462	166.8
[M-H]-	302.90812	161.6
[M+NH4]+	321.94922	177.9
[M+K]+	342.87856	163.7
[M+H-H2O]+	286.91266	153.1
[M+HCOO]-	348.91360	176.3
[M+CH3COO]-	362.92925	183.7
[M+Na-2H]-	324.89007	160.4
[M]+	303.91485	163.4
[M]-	303.91595	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.