CID 80258

5-phenyl-1,10-phenanthroline

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC=C(C=C1)C2=C3C=CC=NC3=C4C(=C2)C=CC=N4
InChI
InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H
InChIKey
QQEQHUHZBMUJET-UHFFFAOYSA-N
Compound name
5-phenyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

209
Patents

256.10004 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.107316 157.8
[M+Na]+ 279.089258 168.3
[M-H]- 255.092764 163.8
[M+NH4]+ 274.133863 173.6
[M+K]+ 295.063198 161.1
[M+H-H2O]+ 239.097300 147.6
[M+HCOO]- 301.098241 178.8
[M+CH3COO]- 315.113891 170.0
[M+Na-2H]- 277.074706 169.4
[M]+ 256.09949142 158.5
[M]- 256.10058858 158.5
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