CID 96029

6-nitroquinoxaline

Structural Information

Molecular Formula

C₈H₅N₃O₂

SMILES

C1=CC2=NC=CN=C2C=C1[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H

InChIKey

YLKFDRWBZAALPN-UHFFFAOYSA-N

Compound name

6-nitroquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 213
Patents: 175.03818 Da
Monoisotopic Mass: 1.3
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]+	176.04546	130.2
[M+Na]+	198.02740	145.8
[M+NH4]+	193.07200	139.1
[M+K]+	214.00134	141.7
[M-H]-	174.03090	133.7
[M+Na-2H]-	196.01285	138.6
[M]+	175.03763	133.3
[M]-	175.03873	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe