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 154.7
[M+Na]+ 310.02732 164.8
[M-H]- 286.03082 149.9
[M+NH4]+ 305.07192 169.3
[M+K]+ 326.00126 161.7
[M+H-H2O]+ 270.03536 143.6
[M+HCOO]- 332.03630 167.6
[M+CH3COO]- 346.05195 198.9
[M+Na-2H]- 308.01277 157.8
[M]+ 287.03755 149.0
[M]- 287.03865 149.0
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.