CID 11263608

2-(trifluoromethyl)piperidine

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1CCNC(C1)C(F)(F)F

InChI

InChI=1S/C6H10F3N/c7-6(8,9)5-3-1-2-4-10-5/h5,10H,1-4H2

InChIKey

NAXDEFXCCITWEU-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 466
Patents: 153.07654 Da
Monoisotopic Mass: 1.8
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]+	154.08382	129.6
[M+Na]+	176.06576	135.4
[M-H]-	152.06926	125.8
[M+NH4]+	171.11036	148.4
[M+K]+	192.03970	133.1
[M+H-H2O]+	136.07380	121.6
[M+HCOO]-	198.07474	143.2
[M+CH3COO]-	212.09039	171.3
[M+Na-2H]-	174.05121	134.7
[M]+	153.07599	118.5
[M]-	153.07709	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe