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

248
Patents

161.04523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.052506 127.4
[M+Na]+ 184.034448 136.4
[M-H]- 160.037954 125.9
[M+NH4]+ 179.079053 146.9
[M+K]+ 200.008388 134.0
[M+H-H2O]+ 144.042490 118.9
[M+HCOO]- 206.043431 146.5
[M+CH3COO]- 220.059081 176.0
[M+Na-2H]- 182.019896 135.6
[M]+ 161.04468142 123.0
[M]- 161.04577858 123.0
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