CID 13587494

Fp3chpa

Structural Information

Molecular Formula
C23H25F
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C23H25F/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(24)17-11-20/h8-11,14-18,21H,2-3,6-7,12-13H2,1H3
InChIKey
GIFRJGDOJHDXEW-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.19403 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20131 179.9
[M+Na]+ 343.18325 187.9
[M-H]- 319.18675 184.2
[M+NH4]+ 338.22785 192.2
[M+K]+ 359.15719 177.3
[M+H-H2O]+ 303.19129 164.5
[M+HCOO]- 365.19223 192.0
[M+CH3COO]- 379.20788 187.6
[M+Na-2H]- 341.16870 178.8
[M]+ 320.19348 169.2
[M]- 320.19458 169.2
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