CID 16115439

4-[4-(trifluoromethoxy)phenoxy]piperidine

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO₂

SMILES

C1CNCCC1OC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C12H14F3NO2/c13-12(14,15)18-11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16H,5-8H2

InChIKey

RPQOTFPZKNHYFB-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethoxy)phenoxy]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 261.09766 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]+	262.10494	155.9
[M+Na]+	284.08688	161.2
[M-H]-	260.09038	154.9
[M+NH4]+	279.13148	169.9
[M+K]+	300.06082	157.5
[M+H-H2O]+	244.09492	145.6
[M+HCOO]-	306.09586	169.3
[M+CH3COO]-	320.11151	190.2
[M+Na-2H]-	282.07233	159.7
[M]+	261.09711	147.8
[M]-	261.09821	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe