CID 22753

6306-96-3

Structural Information

Molecular Formula

C₆H₄AsCl₂NO₂

SMILES

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

InChI

InChI=1S/C6H4AsCl2NO2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H

InChIKey

OVXJYMMNEZNCEF-UHFFFAOYSA-N

Compound name

dichloro-(3-nitrophenyl)arsane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.8835 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]+	267.89078	148.7
[M+Na]+	289.87272	156.5
[M-H]-	265.87622	151.0
[M+NH4]+	284.91732	167.4
[M+K]+	305.84666	148.6
[M+H-H2O]+	249.88076	149.3
[M+HCOO]-	311.88170	163.7
[M+CH3COO]-	325.89735	179.4
[M+Na-2H]-	287.85817	153.9
[M]+	266.88295	149.8
[M]-	266.88405	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe