CID 21268288

1004618-85-2

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

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

InChI

InChI=1S/C12H14F3NO/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2

InChIKey

FLWRTKZUGCVAGX-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethoxy)phenyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 245.10275 Da
Monoisotopic Mass: 3.2
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]+	246.11003	157.8
[M+Na]+	268.09197	166.4
[M+NH4]+	263.13657	163.5
[M+K]+	284.06591	160.6
[M-H]-	244.09547	155.9
[M+Na-2H]-	266.07742	162.3
[M]+	245.10220	158.1
[M]-	245.10330	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe