CID 3019145

83171-55-5

Structural Information

Molecular Formula
C25H33F
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CC)F
InChI
InChI=1S/C25H33F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h8-9,14-18,20-21H,3-7,10-13H2,1-2H3
InChIKey
QVFBANOSNYADEV-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-2-fluoro-4-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

352.25662 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26390 190.5
[M+Na]+ 375.24584 194.3
[M-H]- 351.24934 197.2
[M+NH4]+ 370.29044 203.3
[M+K]+ 391.21978 187.3
[M+H-H2O]+ 335.25388 179.8
[M+HCOO]- 397.25482 206.9
[M+CH3COO]- 411.27047 218.9
[M+Na-2H]- 373.23129 188.2
[M]+ 352.25607 186.7
[M]- 352.25717 186.7
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