CID 20625412

157453-50-4

Structural Information

Molecular Formula

C₁₅H₁₆FN

SMILES

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

InChI

InChI=1S/C15H16FN/c1-2-11-3-5-12(6-4-11)13-7-8-14(10-17)15(16)9-13/h2,7-9,11-12H,1,3-6H2

InChIKey

ICBKEHOJHRKLAF-UHFFFAOYSA-N

Compound name

4-(4-ethenylcyclohexyl)-2-fluorobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 229.12668 Da
Monoisotopic Mass: 4.6
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]+	230.13396	151.5
[M+Na]+	252.11590	160.6
[M-H]-	228.11940	155.5
[M+NH4]+	247.16050	167.8
[M+K]+	268.08984	153.9
[M+H-H2O]+	212.12394	137.7
[M+HCOO]-	274.12488	167.3
[M+CH3COO]-	288.14053	203.5
[M+Na-2H]-	250.10135	153.3
[M]+	229.12613	141.5
[M]-	229.12723	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe