CID 23301193

7-nitroquinolin-2(1h)-one

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC(=CC2=C1C=CC(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-9-4-2-6-1-3-7(11(13)14)5-8(6)10-9/h1-5H,(H,10,12)
InChIKey
ZZVKOBBRQRBYRF-UHFFFAOYSA-N
Compound name
7-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

190.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 133.7
[M+Na]+ 213.02706 148.7
[M+NH4]+ 208.07166 142.0
[M+K]+ 229.00100 145.0
[M-H]- 189.03056 136.7
[M+Na-2H]- 211.01251 140.8
[M]+ 190.03729 136.5
[M]- 190.03839 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe