CID 14985148

99896-05-6

Structural Information

Molecular Formula
C32H45F
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3
InChIKey
ZNSSVBKDGHSLQE-UHFFFAOYSA-N
Compound name
2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

448.35052 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.35780 219.7
[M+Na]+ 471.33974 219.3
[M-H]- 447.34324 227.4
[M+NH4]+ 466.38434 227.7
[M+K]+ 487.31368 210.8
[M+H-H2O]+ 431.34778 206.6
[M+HCOO]- 493.34872 230.4
[M+CH3COO]- 507.36437 237.5
[M+Na-2H]- 469.32519 212.0
[M]+ 448.34997 211.3
[M]- 448.35107 211.3
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