CID 14985099

139395-96-3

Structural Information

Molecular Formula
C21H28F4O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C21H28F4O/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-20(19(22)13-18)26-21(23,24)25/h11-17H,2-10H2,1H3
InChIKey
FTPVGOBGOGGSPI-UHFFFAOYSA-N
Compound name
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

372.20764 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21492 191.1
[M+Na]+ 395.19686 194.2
[M-H]- 371.20036 193.5
[M+NH4]+ 390.24146 202.7
[M+K]+ 411.17080 188.4
[M+H-H2O]+ 355.20490 178.7
[M+HCOO]- 417.20584 199.8
[M+CH3COO]- 431.22149 218.2
[M+Na-2H]- 393.18231 186.8
[M]+ 372.20709 179.1
[M]- 372.20819 179.1
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