CID 3054981

Pyridine, 1,2,3,6-tetrahydro-5-(3-(trifluoromethyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C12H12F3N
SMILES
C1CNCC(=C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H12F3N/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10/h1,3-5,7,16H,2,6,8H2
InChIKey
JINDKOVXZGVBGY-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09946 153.2
[M+Na]+ 250.08140 163.1
[M+NH4]+ 245.12600 159.5
[M+K]+ 266.05534 156.7
[M-H]- 226.08490 152.0
[M+Na-2H]- 248.06685 159.0
[M]+ 227.09163 154.0
[M]- 227.09273 154.0
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