CID 165606092

2751611-20-6

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

C1CNCCC1(CF)F

InChI

InChI=1S/C6H11F2N/c7-5-6(8)1-3-9-4-2-6/h9H,1-5H2

InChIKey

QBOAAMFXKUXAOL-UHFFFAOYSA-N

Compound name

4-fluoro-4-(fluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.08595 Da
Monoisotopic Mass: 0.9
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]+	136.09323	126.4
[M+Na]+	158.07517	132.5
[M-H]-	134.07867	124.0
[M+NH4]+	153.11977	147.8
[M+K]+	174.04911	130.6
[M+H-H2O]+	118.08321	119.4
[M+HCOO]-	180.08415	142.6
[M+CH3COO]-	194.09980	168.4
[M+Na-2H]-	156.06062	132.5
[M]+	135.08540	117.4
[M]-	135.08650	117.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.