CID 67473

1,7-phenanthroline

Structural Information

Molecular Formula
C12H8N2
SMILES
C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1
InChI
InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
InChIKey
OZKOMUDCMCEDTM-UHFFFAOYSA-N
Compound name
1,7-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

73
References

78049
Patents

180.06874 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07602 134.6
[M+Na]+ 203.05796 145.7
[M-H]- 179.06146 137.8
[M+NH4]+ 198.10256 154.1
[M+K]+ 219.03190 140.7
[M+H-H2O]+ 163.06600 126.5
[M+HCOO]- 225.06694 156.7
[M+CH3COO]- 239.08259 148.5
[M+Na-2H]- 201.04341 148.1
[M]+ 180.06819 135.8
[M]- 180.06929 135.8
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