CID 4984158

193357-81-2

Structural Information

Molecular Formula

C₁₃H₁₆F₃N

SMILES

C1CNCCC1CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N/c14-13(15,16)12-3-1-10(2-4-12)9-11-5-7-17-8-6-11/h1-4,11,17H,5-9H2

InChIKey

DOUKFDZHIACTLD-UHFFFAOYSA-N

Compound name

4-[[4-(trifluoromethyl)phenyl]methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 243.12349 Da
Monoisotopic Mass: 3.4
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]+	244.130766	154.0
[M+Na]+	266.112708	159.2
[M-H]-	242.116214	153.0
[M+NH4]+	261.157313	169.0
[M+K]+	282.086648	154.1
[M+H-H2O]+	226.120750	144.0
[M+HCOO]-	288.121691	166.8
[M+CH3COO]-	302.137341	189.1
[M+Na-2H]-	264.098156	157.2
[M]+	243.12294142	143.5
[M]-	243.12403858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe