CID 66545150

Ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

Structural Information

Molecular Formula
C13H8F6N2O2
SMILES
CCOC(=O)C1=NC2=C(C=C1)C(=CC(=N2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H8F6N2O2/c1-2-23-11(22)8-4-3-6-7(12(14,15)16)5-9(13(17,18)19)21-10(6)20-8/h3-5H,2H2,1H3
InChIKey
SOGQRHUEDKQABR-UHFFFAOYSA-N
Compound name
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.049 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05628 171.3
[M+Na]+ 361.03822 182.4
[M-H]- 337.04172 166.2
[M+NH4]+ 356.08282 183.6
[M+K]+ 377.01216 177.6
[M+H-H2O]+ 321.04626 158.8
[M+HCOO]- 383.04720 181.5
[M+CH3COO]- 397.06285 209.2
[M+Na-2H]- 359.02367 175.2
[M]+ 338.04845 166.6
[M]- 338.04955 166.6
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.