CID 90284

Ethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate

Structural Information

Molecular Formula
C13H10F3NO3
SMILES
CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-10(18)7-4-3-5-8(11(7)17-9)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChIKey
POYCJJNDSYSSLI-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06128 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06856 158.5
[M+Na]+ 308.05050 168.7
[M-H]- 284.05400 157.0
[M+NH4]+ 303.09510 173.6
[M+K]+ 324.02444 164.1
[M+H-H2O]+ 268.05854 149.4
[M+HCOO]- 330.05948 173.9
[M+CH3COO]- 344.07513 197.1
[M+Na-2H]- 306.03595 163.0
[M]+ 285.06073 156.6
[M]- 285.06183 156.6
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.