CID 68523624

4-(2,2,2-trifluoroethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CNCCC1CC(F)(F)F

InChI

InChI=1S/C7H12F3N/c8-7(9,10)5-6-1-3-11-4-2-6/h6,11H,1-5H2

InChIKey

KFZIRTLPMRPYID-UHFFFAOYSA-N

Compound name

4-(2,2,2-trifluoroethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 167.09218 Da
Monoisotopic Mass: 2.0
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]+	168.09946	140.2
[M+Na]+	190.08140	147.2
[M+NH4]+	185.12600	146.0
[M+K]+	206.05534	142.2
[M-H]-	166.08490	136.3
[M+Na-2H]-	188.06685	142.7
[M]+	167.09163	139.6
[M]-	167.09273	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe