CID 224310

(4-aminophenyl)arsonous acid

Structural Information

Molecular Formula

C₆H₈AsNO₂

SMILES

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

InChI

InChI=1S/C6H8AsNO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,8H2

InChIKey

VGDHRYHBCTUEPP-UHFFFAOYSA-N

Compound name

(4-aminophenyl)arsonous acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 200.9771 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]+	201.98438	138.2
[M+Na]+	223.96632	144.9
[M-H]-	199.96982	138.6
[M+NH4]+	219.01092	157.3
[M+K]+	239.94026	142.4
[M+H-H2O]+	183.97436	132.4
[M+HCOO]-	245.97530	159.5
[M+CH3COO]-	259.99095	172.5
[M+Na-2H]-	221.95177	142.4
[M]+	200.97655	134.4
[M]-	200.97765	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe