CID 13587498

Fp2chpa

Structural Information

Molecular Formula
C22H23F
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C22H23F/c1-2-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-4-19-9-15-22(23)16-10-19/h7-10,13-17,20H,2,5-6,11-12H2,1H3
InChIKey
GEVGZTGDYQGVRG-UHFFFAOYSA-N
Compound name
1-(4-ethylcyclohexyl)-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.17838 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18566 176.0
[M+Na]+ 329.16760 184.4
[M-H]- 305.17110 180.5
[M+NH4]+ 324.21220 188.8
[M+K]+ 345.14154 174.0
[M+H-H2O]+ 289.17564 160.8
[M+HCOO]- 351.17658 188.4
[M+CH3COO]- 365.19223 184.1
[M+Na-2H]- 327.15305 175.4
[M]+ 306.17783 165.1
[M]- 306.17893 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe