CID 4322147

Ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate

Structural Information

Molecular Formula
C13H9ClF3NO2
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)C(F)(F)F
InChI
InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)9-6-18-10-4-3-7(13(15,16)17)5-8(10)11(9)14/h3-6H,2H2,1H3
InChIKey
NYDXGDQZPDDDMR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

303.0274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03468 162.7
[M+Na]+ 326.01662 173.7
[M+NH4]+ 321.06122 168.1
[M+K]+ 341.99056 167.8
[M-H]- 302.02012 159.6
[M+Na-2H]- 324.00207 166.6
[M]+ 303.02685 163.4
[M]- 303.02795 163.4
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

patents stripe