CID 10729187

193357-75-4

Structural Information

Molecular Formula

C₁₂H₁₅F₂N

SMILES

C1CNCCC1CC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H15F2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2

InChIKey

GTIPRWLJTBFXAB-UHFFFAOYSA-N

Compound name

4-[(3,4-difluorophenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 211.11725 Da
Monoisotopic Mass: 2.7
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]+	212.12453	150.0
[M+Na]+	234.10647	161.2
[M+NH4]+	229.15107	157.7
[M+K]+	250.08041	153.6
[M-H]-	210.10997	151.0
[M+Na-2H]-	232.09192	156.0
[M]+	211.11670	151.7
[M]-	211.11780	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe