CID 279432

Nsc129939

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC2=C(C(=O)C=CN2)C3=C1C(=O)C=CN3
InChI
InChI=1S/C12H8N2O2/c15-9-3-6-14-12-7(9)1-2-8-11(12)10(16)4-5-13-8/h1-6H,(H,13,16)(H,14,15)
InChIKey
GCPKHMZLLDVKBB-UHFFFAOYSA-N
Compound name
1,7-dihydro-1,7-phenanthroline-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 141.5
[M+Na]+ 235.04780 153.9
[M-H]- 211.05130 142.8
[M+NH4]+ 230.09240 158.6
[M+K]+ 251.02174 147.2
[M+H-H2O]+ 195.05584 134.2
[M+HCOO]- 257.05678 161.2
[M+CH3COO]- 271.07243 154.5
[M+Na-2H]- 233.03325 152.5
[M]+ 212.05803 141.4
[M]- 212.05913 141.4
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.