CID 45790519

2-(2,2,2-trifluoroethyl)pyridine

Structural Information

Molecular Formula
C7H6F3N
SMILES
C1=CC=NC(=C1)CC(F)(F)F
InChI
InChI=1S/C7H6F3N/c8-7(9,10)5-6-3-1-2-4-11-6/h1-4H,5H2
InChIKey
MKFDWZKRIACKMS-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

161.04523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 134.6
[M+Na]+ 184.03445 144.7
[M+NH4]+ 179.07905 141.0
[M+K]+ 200.00839 138.9
[M-H]- 160.03795 131.8
[M+Na-2H]- 182.01990 140.3
[M]+ 161.04468 135.0
[M]- 161.04578 135.0
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

patents stripe