CID 53418774

686298-08-8

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂

SMILES

C1CNCCC1N2CCC(CC2)(F)F

InChI

InChI=1S/C10H18F2N2/c11-10(12)3-7-14(8-4-10)9-1-5-13-6-2-9/h9,13H,1-8H2

InChIKey

SJPKYEQXKLCJBT-UHFFFAOYSA-N

Compound name

4,4-difluoro-1-piperidin-4-ylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 204.1438 Da
Monoisotopic Mass: 1.5
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]+	205.15108	148.3
[M+Na]+	227.13302	151.9
[M-H]-	203.13652	146.5
[M+NH4]+	222.17762	165.1
[M+K]+	243.10696	148.6
[M+H-H2O]+	187.14106	138.4
[M+HCOO]-	249.14200	158.9
[M+CH3COO]-	263.15765	181.0
[M+Na-2H]-	225.11847	150.6
[M]+	204.14325	134.8
[M]-	204.14435	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe