CID 5018790

824390-04-7

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

C1CNCCC1OC2=CC=CC=C2C(F)(F)F

InChI

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

InChIKey

MBZJEIRMMYDAFD-UHFFFAOYSA-N

Compound name

4-[2-(trifluoromethyl)phenoxy]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 245.10275 Da
Monoisotopic Mass: 2.9
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	152.8
[M+Na]+	268.091968	158.3
[M-H]-	244.095474	151.9
[M+NH4]+	263.136573	167.6
[M+K]+	284.065908	154.0
[M+H-H2O]+	228.100010	142.7
[M+HCOO]-	290.100951	166.0
[M+CH3COO]-	304.116601	188.1
[M+Na-2H]-	266.077416	156.5
[M]+	245.10220142	143.3
[M]-	245.10329858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe