CID 7567134

1,10-phenanthroline-2,9-dicarboxylic acid

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2)C(=O)O
InChI
InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
InChIKey
FXSVCROWUPWXBP-UHFFFAOYSA-N
Compound name
1,10-phenanthroline-2,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

152
Patents

268.0484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 156.4
[M+Na]+ 291.03762 171.3
[M+NH4]+ 286.08222 163.0
[M+K]+ 307.01156 166.0
[M-H]- 267.04112 156.9
[M+Na-2H]- 289.02307 162.2
[M]+ 268.04785 158.6
[M]- 268.04895 158.6
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