CID 45588305

Ethyl 4-(trifluoromethyl)-2-pyridinecarboxylate

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
CCOC(=O)C1=NC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-2-15-8(14)7-5-6(3-4-13-7)9(10,11)12/h3-5H,2H2,1H3
InChIKey
VHYPHUNCCISTMT-UHFFFAOYSA-N
Compound name
ethyl 4-(trifluoromethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

219.05072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 148.9
[M+Na]+ 242.03994 157.8
[M+NH4]+ 237.08454 153.5
[M+K]+ 258.01388 153.3
[M-H]- 218.04344 144.7
[M+Na-2H]- 240.02539 152.5
[M]+ 219.05017 148.6
[M]- 219.05127 148.6
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

patents stripe