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

166
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 155.6
[M+Na]+ 291.03762 165.9
[M-H]- 267.04112 156.7
[M+NH4]+ 286.08222 169.8
[M+K]+ 307.01156 161.4
[M+H-H2O]+ 251.04566 147.7
[M+HCOO]- 313.04660 172.8
[M+CH3COO]- 327.06225 167.0
[M+Na-2H]- 289.02307 163.4
[M]+ 268.04785 157.8
[M]- 268.04895 157.8
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