CID 228615

Phenazine di-n-oxide

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]
InChI
InChI=1S/C12H8N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey
ZMFJCQAPRNRDSK-UHFFFAOYSA-N
Compound name
10-oxidophenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

94
Patents

212.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 141.5
[M+Na]+ 235.04780 153.1
[M-H]- 211.05130 144.1
[M+NH4]+ 230.09240 158.8
[M+K]+ 251.02174 143.4
[M+H-H2O]+ 195.05584 138.2
[M+HCOO]- 257.05678 162.9
[M+CH3COO]- 271.07243 177.8
[M+Na-2H]- 233.03325 154.7
[M]+ 212.05803 141.7
[M]- 212.05913 141.7
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