CID 317999

Ethyl 4-chloro-1,7-phenanthroline-3-carboxylate

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
CCOC(=O)C1=CN=C2C3=C(C=CC2=C1Cl)N=CC=C3
InChI
InChI=1S/C15H11ClN2O2/c1-2-20-15(19)11-8-18-14-9-4-3-7-17-12(9)6-5-10(14)13(11)16/h3-8H,2H2,1H3
InChIKey
YSOGNRFJPSGWBD-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-1,7-phenanthroline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 160.6
[M+Na]+ 309.040118 172.6
[M-H]- 285.043624 163.8
[M+NH4]+ 304.084723 176.9
[M+K]+ 325.014058 166.6
[M+H-H2O]+ 269.048160 152.5
[M+HCOO]- 331.049101 176.4
[M+CH3COO]- 345.064751 173.0
[M+Na-2H]- 307.025566 169.2
[M]+ 286.05035142 167.2
[M]- 286.05144858 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.