CID 243776

5-nitro-1,2-dihydroquinolin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

106
Patents

190.03784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 133.2
[M+Na]+ 213.02706 142.2
[M-H]- 189.03056 135.8
[M+NH4]+ 208.07166 151.1
[M+K]+ 229.00100 134.7
[M+H-H2O]+ 173.03510 131.4
[M+HCOO]- 235.03604 156.4
[M+CH3COO]- 249.05169 173.4
[M+Na-2H]- 211.01251 144.1
[M]+ 190.03729 130.9
[M]- 190.03839 130.9
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