CID 11736340

4-(3-trifluoromethylphenyl)piperidine, hcl

Structural Information

Molecular Formula

C₁₂H₁₄F₃N

SMILES

C1CNCCC1C2=CC(=CC=C2)C(F)(F)F

InChI

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

InChIKey

IPKSNWXGEIHOMR-UHFFFAOYSA-N

Compound name

4-[3-(trifluoromethyl)phenyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 254
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

literature stripe

Patent stripe

patents stripe