CID 22397496

4-(2,4-difluorophenoxy)piperidine

Structural Information

Molecular Formula

C₁₁H₁₃F₂NO

SMILES

C1CNCCC1OC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C11H13F2NO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2

InChIKey

LJTKODIQFDAGSL-UHFFFAOYSA-N

Compound name

4-(2,4-difluorophenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 213.09653 Da
Monoisotopic Mass: 2.2
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]+	214.10381	148.7
[M+Na]+	236.08575	159.6
[M+NH4]+	231.13035	156.0
[M+K]+	252.05969	152.8
[M-H]-	212.08925	149.2
[M+Na-2H]-	234.07120	154.5
[M]+	213.09598	150.1
[M]-	213.09708	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe