CID 15025857

7-nitro-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula

C₈H₅N₃O₃

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C=N2

InChI

InChI=1S/C8H5N3O3/c12-8-4-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-4H,(H,10,12)

InChIKey

CPIFPSDSDMLFMK-UHFFFAOYSA-N

Compound name

7-nitro-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 191.0331 Da
Monoisotopic Mass: 0.6
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]+	192.04038	133.0
[M+Na]+	214.02232	142.4
[M-H]-	190.02582	134.4
[M+NH4]+	209.06692	149.5
[M+K]+	229.99626	134.9
[M+H-H2O]+	174.03036	130.5
[M+HCOO]-	236.03130	155.2
[M+CH3COO]-	250.04695	173.2
[M+Na-2H]-	212.00777	144.8
[M]+	191.03255	130.8
[M]-	191.03365	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe