CID 604780

133914-49-5

Structural Information

Molecular Formula
C24H35F3O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C24H35F3O/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3
InChIKey
CEYKVAXXLKVHOH-UHFFFAOYSA-N
Compound name
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

396.264 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27128 200.9
[M+Na]+ 419.25322 201.6
[M-H]- 395.25672 203.6
[M+NH4]+ 414.29782 211.2
[M+K]+ 435.22716 195.5
[M+H-H2O]+ 379.26126 188.6
[M+HCOO]- 441.26220 209.7
[M+CH3COO]- 455.27785 223.1
[M+Na-2H]- 417.23867 196.3
[M]+ 396.26345 190.6
[M]- 396.26455 190.6
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