CID 75255

2249-28-7

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O

InChI

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

InChIKey

ILKPZCKFWLTEBQ-UHFFFAOYSA-N

Compound name

4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 394
Patents: 245.10275 Da
Monoisotopic Mass: 1.8
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	157.0
[M+Na]+	268.09197	165.3
[M+NH4]+	263.13657	163.7
[M+K]+	284.06591	158.3
[M-H]-	244.09547	154.7
[M+Na-2H]-	266.07742	162.5
[M]+	245.10220	157.3
[M]-	245.10330	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe