CID 20260066

208844-07-9

Structural Information

Molecular Formula

C₁₅H₁₇F₂N

SMILES

CCC1CCC(CC1)C2=CC(=C(C(=C2)F)C#N)F

InChI

InChI=1S/C15H17F2N/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-18)15(17)8-12/h7-8,10-11H,2-6H2,1H3

InChIKey

AHMVWTCTRTWLHL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 249.1329 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]+	250.14018	152.5
[M+Na]+	272.12212	162.0
[M-H]-	248.12562	155.6
[M+NH4]+	267.16672	168.4
[M+K]+	288.09606	155.8
[M+H-H2O]+	232.13016	138.1
[M+HCOO]-	294.13110	167.3
[M+CH3COO]-	308.14675	207.8
[M+Na-2H]-	270.10757	153.4
[M]+	249.13235	142.5
[M]-	249.13345	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe