CID 2189527

Fp5chpa

Structural Information

Molecular Formula
C25H29F
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C25H29F/c1-2-3-4-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(26)19-13-22/h10-13,16-20,23H,2-5,8-9,14-15H2,1H3
InChIKey
UQKHXSPARPGGJR-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.22534 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23262 187.6
[M+Na]+ 371.21456 194.8
[M-H]- 347.21806 191.5
[M+NH4]+ 366.25916 198.8
[M+K]+ 387.18850 183.8
[M+H-H2O]+ 331.22260 171.8
[M+HCOO]- 393.22354 199.1
[M+CH3COO]- 407.23919 194.5
[M+Na-2H]- 369.20001 185.5
[M]+ 348.22479 177.6
[M]- 348.22589 177.6
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