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 138.1
[M+Na]+ 219.05288 148.7
[M-H]- 195.05638 140.3
[M+NH4]+ 214.09748 155.9
[M+K]+ 235.02682 139.1
[M+H-H2O]+ 179.06092 134.8
[M+HCOO]- 241.06186 159.2
[M+CH3COO]- 255.07751 175.6
[M+Na-2H]- 217.03833 152.0
[M]+ 196.06311 137.3
[M]- 196.06421 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe