CID 22097674

681508-70-3

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

C1CN(CCC1O)C2=CC=C(C=C2)C(F)(F)F

InChI

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

InChIKey

KKEZLXOOIIFZGD-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 245.10275 Da
Monoisotopic Mass: 2.8
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	152.8
[M+Na]+	268.09197	159.3
[M-H]-	244.09547	152.4
[M+NH4]+	263.13657	168.0
[M+K]+	284.06591	155.1
[M+H-H2O]+	228.10001	143.1
[M+HCOO]-	290.10095	166.1
[M+CH3COO]-	304.11660	189.3
[M+Na-2H]-	266.07742	155.9
[M]+	245.10220	143.7
[M]-	245.10330	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe