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

16
Patents

212.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.065856 141.5
[M+Na]+ 235.047798 153.9
[M-H]- 211.051304 142.8
[M+NH4]+ 230.092403 158.6
[M+K]+ 251.021738 147.2
[M+H-H2O]+ 195.055840 134.2
[M+HCOO]- 257.056781 161.2
[M+CH3COO]- 271.072431 154.5
[M+Na-2H]- 233.033246 152.5
[M]+ 212.05803142 141.4
[M]- 212.05912858 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

patents stripe