CID 172737

Benzenesulfonic acid, 4-arsenoso-

Structural Information

Molecular Formula

C₆H₅AsO₄S

SMILES

C1=CC(=CC=C1S(=O)(=O)O)[As]=O

InChI

InChI=1S/C6H5AsO4S/c8-7-5-1-3-6(4-2-5)12(9,10)11/h1-4H,(H,9,10,11)

InChIKey

HQEGGZBZHDBIEZ-UHFFFAOYSA-N

Compound name

4-arsorosobenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 247.91245 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]+	248.91973	144.7
[M+Na]+	270.90167	153.9
[M-H]-	246.90517	147.4
[M+NH4]+	265.94627	163.7
[M+K]+	286.87561	150.8
[M+H-H2O]+	230.90971	139.2
[M+HCOO]-	292.91065	162.4
[M+CH3COO]-	306.92630	175.7
[M+Na-2H]-	268.88712	149.2
[M]+	247.91190	147.7
[M]-	247.91300	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe