CID 22637065

208989-30-4

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

C1CNCCC1(C2=CC=CC=C2C(F)(F)F)O

InChI

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

InChIKey

RFJBFMQLLHGBFH-UHFFFAOYSA-N

Compound name

4-[2-(trifluoromethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
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

No literature data available for this compound.

Patent stripe

patents stripe