CID 11482008

337366-98-0

Structural Information

Molecular Formula

C₁₅H₁₅F₂N

SMILES

C=CC1CCC(CC1)C2=CC(=C(C(=C2)F)C#N)F

InChI

InChI=1S/C15H15F2N/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-18)15(17)8-12/h2,7-8,10-11H,1,3-6H2

InChIKey

RHKFLOBWOJNBQH-UHFFFAOYSA-N

Compound name

4-(4-ethenylcyclohexyl)-2,6-difluorobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 247.11725 Da
Monoisotopic Mass: 4.7
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]+	248.12453	152.4
[M+Na]+	270.10647	162.2
[M-H]-	246.10997	155.5
[M+NH4]+	265.15107	168.3
[M+K]+	286.08041	155.4
[M+H-H2O]+	230.11451	138.0
[M+HCOO]-	292.11545	167.4
[M+CH3COO]-	306.13110	207.0
[M+Na-2H]-	268.09192	153.2
[M]+	247.11670	141.7
[M]-	247.11780	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe