CID 22707863

208989-34-8

Structural Information

Molecular Formula

C₁₂H₁₂F₃N

SMILES

C1CNCC=C1C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H12F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-5,16H,6-8H2

InChIKey

PXOCJMKTXBMFNT-UHFFFAOYSA-N

Compound name

4-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 227.09218 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.09946	147.7
[M+Na]+	250.08140	154.4
[M-H]-	226.08490	147.2
[M+NH4]+	245.12600	163.4
[M+K]+	266.05534	149.3
[M+H-H2O]+	210.08944	137.9
[M+HCOO]-	272.09038	162.2
[M+CH3COO]-	286.10603	185.8
[M+Na-2H]-	248.06685	152.4
[M]+	227.09163	138.2
[M]-	227.09273	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe