CID 165341514

Dtxsid901124957

Structural Information

Molecular Formula
C24H32F4O
SMILES
CCCCCC1CCC(CC1)C2CCC(=CC2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C24H32F4O/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-23(22(25)16-21)29-24(26,27)28/h12,14-19H,2-11,13H2,1H3
InChIKey
CVOPTMHRZSTKMA-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.23892 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24620 203.2
[M+Na]+ 435.22814 206.0
[M-H]- 411.23164 205.3
[M+NH4]+ 430.27274 213.2
[M+K]+ 451.20208 199.3
[M+H-H2O]+ 395.23618 190.1
[M+HCOO]- 457.23712 212.3
[M+CH3COO]- 471.25277 226.6
[M+Na-2H]- 433.21359 198.3
[M]+ 412.23837 193.6
[M]- 412.23947 193.6
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

No patent data available for this compound.