CID 13115662

8-hydroxy-5-nitroquinolin-1-ium-1-olate

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC2=C(C=CC(=C2[N+](=C1)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O4/c12-8-4-3-7(11(14)15)6-2-1-5-10(13)9(6)8/h1-5,12H
InChIKey
KZBSKCRFJCLYJK-UHFFFAOYSA-N
Compound name
5-nitro-1-oxidoquinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.040036 140.2
[M+Na]+ 229.021978 148.4
[M-H]- 205.025484 141.7
[M+NH4]+ 224.066583 156.1
[M+K]+ 244.995918 136.7
[M+H-H2O]+ 189.030020 143.0
[M+HCOO]- 251.030961 161.6
[M+CH3COO]- 265.046611 169.4
[M+Na-2H]- 227.007426 151.5
[M]+ 206.03221142 136.5
[M]- 206.03330858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.