CID 15618455

6-nitrocinnolin-4-ol

Structural Information

Molecular Formula

C₈H₅N₃O₃

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=NN2

InChI

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

InChIKey

KHKIQKVEMYQXLZ-UHFFFAOYSA-N

Compound name

6-nitro-1H-cinnolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	133.3
[M+Na]+	214.02232	148.2
[M+NH4]+	209.06692	140.9
[M+K]+	229.99626	145.1
[M-H]-	190.02582	135.5
[M+Na-2H]-	212.00777	140.2
[M]+	191.03255	135.8
[M]-	191.03365	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe