CID 11368359

Dtxsid401228091

Structural Information

Molecular Formula

C₁₅H₁₈F₂

SMILES

CCCC1CCC(=CC1)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C15H18F2/c1-2-3-11-4-6-12(7-5-11)13-8-14(16)10-15(17)9-13/h6,8-11H,2-5,7H2,1H3

InChIKey

ZEVDXVPFQNRKEO-UHFFFAOYSA-N

Compound name

1,3-difluoro-5-(4-propylcyclohexen-1-yl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 236.13765 Da
Monoisotopic Mass: 5.2
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]+	237.14493	152.5
[M+Na]+	259.12687	159.6
[M-H]-	235.13037	156.2
[M+NH4]+	254.17147	170.5
[M+K]+	275.10081	155.0
[M+H-H2O]+	219.13491	143.7
[M+HCOO]-	281.13585	171.5
[M+CH3COO]-	295.15150	194.6
[M+Na-2H]-	257.11232	154.6
[M]+	236.13710	147.9
[M]-	236.13820	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe