CID 24688940

1172297-96-9

Structural Information

Molecular Formula

C₁₂H₁₃F₂NO

SMILES

C1CNCCC1C(=O)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C12H13F2NO/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2

InChIKey

INRALMPDEWIMBO-UHFFFAOYSA-N

Compound name

(2,5-difluorophenyl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 225.09653 Da
Monoisotopic Mass: 1.8
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]+	226.10381	152.5
[M+Na]+	248.08575	162.9
[M+NH4]+	243.13035	159.2
[M+K]+	264.05969	156.5
[M-H]-	224.08925	152.5
[M+Na-2H]-	246.07120	157.5
[M]+	225.09598	153.6
[M]-	225.09708	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe