CID 14766837

4-[2-(4-fluorophenyl)ethyl]-4'-propyl-1,1'-biphenyl

Structural Information

Molecular Formula
C23H23F
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C23H23F/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/h6-17H,2-5H2,1H3
InChIKey
DUOPCMJXXKRREU-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.17838 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18566 178.1
[M+Na]+ 341.16760 185.0
[M-H]- 317.17110 185.9
[M+NH4]+ 336.21220 192.2
[M+K]+ 357.14154 177.7
[M+H-H2O]+ 301.17564 167.7
[M+HCOO]- 363.17658 199.5
[M+CH3COO]- 377.19223 188.7
[M+Na-2H]- 339.15305 180.7
[M]+ 318.17783 177.5
[M]- 318.17893 177.5
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