CID 105530186

2121931-32-4

Structural Information

Molecular Formula

C₆H₈F₂N₂

SMILES

C1CNCC(C1C#N)(F)F

InChI

InChI=1S/C6H8F2N2/c7-6(8)4-10-2-1-5(6)3-9/h5,10H,1-2,4H2

InChIKey

VZZOLJOYDVKKDC-UHFFFAOYSA-N

Compound name

3,3-difluoropiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.06555 Da
Monoisotopic Mass: 0.3
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]+	147.07283	122.4
[M+Na]+	169.05477	131.6
[M-H]-	145.05827	120.8
[M+NH4]+	164.09937	141.6
[M+K]+	185.02871	128.3
[M+H-H2O]+	129.06281	109.5
[M+HCOO]-	191.06375	136.1
[M+CH3COO]-	205.07940	184.0
[M+Na-2H]-	167.04022	128.3
[M]+	146.06500	109.9
[M]-	146.06610	109.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe