CID 14766836

5bfpet

Structural Information

Molecular Formula
C25H27F
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C25H27F/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/h8-19H,2-7H2,1H3
InChIKey
KOOXYCIXUYHKGP-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-pentylphenyl)phenyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

346.2097 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21698 187.3
[M+Na]+ 369.19892 193.3
[M-H]- 345.20242 194.7
[M+NH4]+ 364.24352 200.2
[M+K]+ 385.17286 185.6
[M+H-H2O]+ 329.20696 176.4
[M+HCOO]- 391.20790 208.0
[M+CH3COO]- 405.22355 216.8
[M+Na-2H]- 367.18437 188.8
[M]+ 346.20915 187.3
[M]- 346.21025 187.3
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