CID 118163460

1799284-86-8

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CC(CNC1)COC(F)(F)F

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)12-5-6-2-1-3-11-4-6/h6,11H,1-5H2

InChIKey

HQLBECTZCPKQHA-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxymethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 183.0871 Da
Monoisotopic Mass: 1.6
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]+	184.094376	137.3
[M+Na]+	206.076318	142.6
[M-H]-	182.079824	133.2
[M+NH4]+	201.120923	154.8
[M+K]+	222.050258	140.5
[M+H-H2O]+	166.084360	128.8
[M+HCOO]-	228.085301	150.8
[M+CH3COO]-	242.100951	176.4
[M+Na-2H]-	204.061766	141.9
[M]+	183.08655142	128.1
[M]-	183.08764858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe