CID 72810

1,10-phenanthroline-5,6-dione

Structural Information

Molecular Formula
C12H6N2O2
SMILES
C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1
InChI
InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChIKey
KCALAFIVPCAXJI-UHFFFAOYSA-N
Compound name
1,10-phenanthroline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

82
References

1512
Patents

210.04292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.050196 141.7
[M+Na]+ 233.032138 152.9
[M-H]- 209.035644 145.0
[M+NH4]+ 228.076743 160.0
[M+K]+ 249.006078 148.4
[M+H-H2O]+ 193.040180 133.6
[M+HCOO]- 255.041121 161.6
[M+CH3COO]- 269.056771 155.0
[M+Na-2H]- 231.017586 151.6
[M]+ 210.04237142 142.3
[M]- 210.04346858 142.3
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