CID 77524

1,10-phenanthroline-4,7-diol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

451
Patents

212.05858 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe