CID 22089487

Fp4chpa

Structural Information

Molecular Formula
C24H27F
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C24H27F/c1-2-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(25)18-12-21/h9-12,15-19,22H,2-4,7-8,13-14H2,1H3
InChIKey
KNCISFLLCZWUBE-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.2097 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21698 183.8
[M+Na]+ 357.19892 191.3
[M-H]- 333.20242 187.9
[M+NH4]+ 352.24352 195.5
[M+K]+ 373.17286 180.5
[M+H-H2O]+ 317.20696 168.2
[M+HCOO]- 379.20790 195.6
[M+CH3COO]- 393.22355 191.1
[M+Na-2H]- 355.18437 182.2
[M]+ 334.20915 173.4
[M]- 334.21025 173.4
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