CID 67472

4,7-phenanthroline

Structural Information

Molecular Formula
C12H8N2
SMILES
C1=CC2=C(C=CC3=C2C=CC=N3)N=C1
InChI
InChI=1S/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H
InChIKey
DATYUTWESAKQQM-UHFFFAOYSA-N
Compound name
4,7-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

722
Patents

180.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07602 135.3
[M+Na]+ 203.05796 153.7
[M+NH4]+ 198.10256 146.2
[M+K]+ 219.03190 144.1
[M-H]- 179.06146 139.7
[M+Na-2H]- 201.04341 146.2
[M]+ 180.06819 139.5
[M]- 180.06929 139.5
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