CID 447874

9-(4-hydroxyphenyl)-2,7-phenanthroline

Structural Information

Molecular Formula
C18H12N2O
SMILES
C1=CC2=C(C=C(C=N2)C3=CC=C(C=C3)O)C4=C1C=CN=C4
InChI
InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H
InChIKey
IUSSGTWHFMSCOY-UHFFFAOYSA-N
Compound name
4-(2,7-phenanthrolin-9-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

272.09497 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10225 161.8
[M+Na]+ 295.08419 172.7
[M-H]- 271.08769 166.9
[M+NH4]+ 290.12879 176.5
[M+K]+ 311.05813 165.3
[M+H-H2O]+ 255.09223 151.9
[M+HCOO]- 317.09317 181.5
[M+CH3COO]- 331.10882 173.6
[M+Na-2H]- 293.06964 172.3
[M]+ 272.09442 162.6
[M]- 272.09552 162.6
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