CID 72826

Benzo[c]cinnoline n-oxide

Structural Information

Molecular Formula
C12H8N2O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[N+](=N2)[O-]
InChI
InChI=1S/C12H8N2O/c15-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-14/h1-8H
InChIKey
JFIBBBQSFGWTPH-UHFFFAOYSA-N
Compound name
5-oxidobenzo[c]cinnolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

196.06366 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07094 137.2
[M+Na]+ 219.05288 156.8
[M+NH4]+ 214.09748 147.9
[M+K]+ 235.02682 149.7
[M-H]- 195.05638 142.2
[M+Na-2H]- 217.03833 147.3
[M]+ 196.06311 141.8
[M]- 196.06421 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.