CID 129665577

Nitarsone (iii)

Structural Information

Molecular Formula

C₆H₆AsNO₄

SMILES

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

InChI

InChI=1S/C6H6AsNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H

InChIKey

DYZPMOXUNFTAHR-UHFFFAOYSA-N

Compound name

(4-nitrophenyl)arsonous acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.95128 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]+	231.95856	141.4
[M+Na]+	253.94050	147.6
[M-H]-	229.94400	142.3
[M+NH4]+	248.98510	158.9
[M+K]+	269.91444	141.8
[M+H-H2O]+	213.94854	140.1
[M+HCOO]-	275.94948	163.6
[M+CH3COO]-	289.96513	169.1
[M+Na-2H]-	251.92595	147.5
[M]+	230.95073	138.3
[M]-	230.95183	138.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.