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

3
Annotation Hits: 6
References: 421
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]+	246.110026	153.7
[M+Na]+	268.091968	159.8
[M-H]-	244.095474	151.8
[M+NH4]+	263.136573	169.9
[M+K]+	284.065908	155.0
[M+H-H2O]+	228.100010	144.6
[M+HCOO]-	290.100951	165.5
[M+CH3COO]-	304.116601	185.1
[M+Na-2H]-	266.077416	158.1
[M]+	245.10220142	142.7
[M]-	245.10329858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe