CID 3029849

Phenol, 4-arsenoso-2-nitro-

Structural Information

Molecular Formula

C₆H₄AsNO₄

SMILES

C1=CC(=C(C=C1[As]=O)[N+](=O)[O-])O

InChI

InChI=1S/C6H4AsNO4/c9-6-2-1-4(7-10)3-5(6)8(11)12/h1-3,9H

InChIKey

JCHDSEMSNUAJSW-UHFFFAOYSA-N

Compound name

4-arsoroso-2-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.93562 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]+	229.94290	139.9
[M+Na]+	251.92484	148.1
[M-H]-	227.92834	142.6
[M+NH4]+	246.96944	158.5
[M+K]+	267.89878	142.1
[M+H-H2O]+	211.93288	138.6
[M+HCOO]-	273.93382	164.8
[M+CH3COO]-	287.94947	171.2
[M+Na-2H]-	249.91029	147.1
[M]+	228.93507	139.0
[M]-	228.93617	139.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.