CID 11559061

147622-83-1

Structural Information

Molecular Formula

C₂₀H₂₄F₂O₂

SMILES

C1CC(=CCC1C2CCC3(CC2)OCCO3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H24F2O2/c21-18-6-5-17(13-19(18)22)15-3-1-14(2-4-15)16-7-9-20(10-8-16)23-11-12-24-20/h3,5-6,13-14,16H,1-2,4,7-12H2

InChIKey

JLKCPVGXOVJEGN-UHFFFAOYSA-N

Compound name

8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 334.17444 Da
Monoisotopic Mass: 4.5
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]+	335.181716	180.2
[M+Na]+	357.163658	184.6
[M-H]-	333.167164	189.2
[M+NH4]+	352.208263	194.6
[M+K]+	373.137598	181.6
[M+H-H2O]+	317.171700	170.2
[M+HCOO]-	379.172641	192.3
[M+CH3COO]-	393.188291	189.4
[M+Na-2H]-	355.149106	179.1
[M]+	334.17389142	171.0
[M]-	334.17498858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe