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]+ 207.04004 140.2
[M+Na]+ 229.02198 148.4
[M-H]- 205.02548 141.7
[M+NH4]+ 224.06658 156.1
[M+K]+ 244.99592 136.7
[M+H-H2O]+ 189.03002 143.0
[M+HCOO]- 251.03096 161.6
[M+CH3COO]- 265.04661 169.4
[M+Na-2H]- 227.00743 151.5
[M]+ 206.03221 136.5
[M]- 206.03331 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.