CID 3730849

15450-74-5

Structural Information

Molecular Formula
C9H5N3O6
SMILES
C1=CC(=O)NC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H5N3O6/c13-7-2-1-4-5(11(15)16)3-6(12(17)18)9(14)8(4)10-7/h1-3,14H,(H,10,13)
InChIKey
DJAXDLJCIDXZON-UHFFFAOYSA-N
Compound name
8-hydroxy-5,7-dinitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.01784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02512 145.5
[M+Na]+ 274.00706 153.1
[M-H]- 250.01056 147.1
[M+NH4]+ 269.05166 158.8
[M+K]+ 289.98100 141.7
[M+H-H2O]+ 234.01510 147.7
[M+HCOO]- 296.01604 167.3
[M+CH3COO]- 310.03169 177.9
[M+Na-2H]- 271.99251 156.4
[M]+ 251.01729 141.8
[M]- 251.01839 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.