CID 22729438

4-(3,4,5-trifluorophenyl)piperidine

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CNCCC1C2=CC(=C(C(=C2)F)F)F

InChI

InChI=1S/C11H12F3N/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2

InChIKey

HFKWRARNTZQLPC-UHFFFAOYSA-N

Compound name

4-(3,4,5-trifluorophenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 215.09218 Da
Monoisotopic Mass: 2.3
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]+	216.09946	151.0
[M+Na]+	238.08140	161.2
[M+NH4]+	233.12600	157.5
[M+K]+	254.05534	154.3
[M-H]-	214.08490	150.3
[M+Na-2H]-	236.06685	155.8
[M]+	215.09163	151.9
[M]-	215.09273	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe