CID 10845859

256951-80-1

Structural Information

Molecular Formula

C₁₂H₁₃FN₂

SMILES

C1CNCCC1(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN2/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4,15H,5-8H2

InChIKey

RQYTTWXPAPNGEO-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)piperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 204.10628 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]+	205.11356	149.2
[M+Na]+	227.09550	160.9
[M+NH4]+	222.14010	155.2
[M+K]+	243.06944	148.6
[M-H]-	203.09900	143.9
[M+Na-2H]-	225.08095	154.7
[M]+	204.10573	148.6
[M]-	204.10683	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe