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]+ 287.05818 160.6
[M+Na]+ 309.04012 172.6
[M-H]- 285.04362 163.8
[M+NH4]+ 304.08472 176.9
[M+K]+ 325.01406 166.6
[M+H-H2O]+ 269.04816 152.5
[M+HCOO]- 331.04910 176.4
[M+CH3COO]- 345.06475 173.0
[M+Na-2H]- 307.02557 169.2
[M]+ 286.05035 167.2
[M]- 286.05145 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.