CID 81422

4-(4-aminophenylazo)phenylarsonic acid

Structural Information

Molecular Formula

C₁₂H₁₂AsN₃O₃

SMILES

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)[As](=O)(O)O

InChI

InChI=1S/C12H12AsN3O3/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19/h1-8H,14H2,(H2,17,18,19)

InChIKey

DOEADYYICZVJDD-UHFFFAOYSA-N

Compound name

[4-[(4-aminophenyl)diazenyl]phenyl]arsonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 460
Patents: 321.00946 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]+	322.01674	165.9
[M+Na]+	343.99868	176.5
[M+NH4]+	339.04328	172.1
[M+K]+	359.97262	171.1
[M-H]-	320.00218	169.8
[M+Na-2H]-	341.98413	173.5
[M]+	321.00891	168.2
[M]-	321.01001	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe