CID 3049031

64321-43-3

Structural Information

Molecular Formula

C₁₂H₁₄F₃N

SMILES

C1CC(CNC1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H14F3N/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2

InChIKey

NAAXALWMZKHEHY-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)phenyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 229.10783 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]+	230.11511	149.5
[M+Na]+	252.09705	155.1
[M-H]-	228.10055	148.6
[M+NH4]+	247.14165	165.0
[M+K]+	268.07099	150.2
[M+H-H2O]+	212.10509	139.6
[M+HCOO]-	274.10603	162.5
[M+CH3COO]-	288.12168	186.1
[M+Na-2H]-	250.08250	153.2
[M]+	229.10728	138.5
[M]-	229.10838	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe