CID 49757558

Ethyl 2,6-bis(trifluoromethyl)pyridine-4-carboxylate

Structural Information

Molecular Formula
C10H7F6NO2
SMILES
CCOC(=O)C1=CC(=NC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H7F6NO2/c1-2-19-8(18)5-3-6(9(11,12)13)17-7(4-5)10(14,15)16/h3-4H,2H2,1H3
InChIKey
ODABVGKRSYSLMC-UHFFFAOYSA-N
Compound name
ethyl 2,6-bis(trifluoromethyl)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0381 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04538 172.5
[M+Na]+ 310.02732 177.0
[M+NH4]+ 305.07192 173.6
[M+K]+ 326.00126 173.7
[M-H]- 286.03082 164.8
[M+Na-2H]- 308.01277 172.2
[M]+ 287.03755 170.5
[M]- 287.03865 170.5
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.