CID 75406309

1612172-50-5

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1CNCCC1OC(F)(F)F

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)11-5-1-3-10-4-2-5/h5,10H,1-4H2

InChIKey

XXGQGFIISHCNSE-UHFFFAOYSA-N

Compound name

4-(trifluoromethoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 169.07144 Da
Monoisotopic Mass: 1.4
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]+	170.078716	132.7
[M+Na]+	192.060658	138.4
[M-H]-	168.064164	128.8
[M+NH4]+	187.105263	150.8
[M+K]+	208.034598	136.6
[M+H-H2O]+	152.068700	124.5
[M+HCOO]-	214.069641	146.5
[M+CH3COO]-	228.085291	173.3
[M+Na-2H]-	190.046106	137.8
[M]+	169.07089142	123.1
[M]-	169.07198858	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe