CID 167717234

5-(1,1,2-trifluoroethyl)pyridine-3-carboxylicacid

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=C(C=NC=C1C(CF)(F)F)C(=O)O
InChI
InChI=1S/C8H6F3NO2/c9-4-8(10,11)6-1-5(7(13)14)2-12-3-6/h1-3H,4H2,(H,13,14)
InChIKey
FRDGLDLMLSFQAO-UHFFFAOYSA-N
Compound name
5-(1,1,2-trifluoroethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.03506 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 144.4
[M+Na]+ 228.02428 152.8
[M+NH4]+ 223.06888 148.8
[M+K]+ 243.99822 149.0
[M-H]- 204.02778 139.7
[M+Na-2H]- 226.00973 147.6
[M]+ 205.03451 143.8
[M]- 205.03561 143.8
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.