CID 13115662

21168-37-6

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 141.8
[M+Na]+ 229.02198 157.8
[M+NH4]+ 224.06658 150.1
[M+K]+ 244.99592 156.3
[M-H]- 205.02548 145.8
[M+Na-2H]- 227.00743 147.8
[M]+ 206.03221 145.1
[M]- 206.03331 145.1
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.