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]+ 373.214916 191.1
[M+Na]+ 395.196858 194.2
[M-H]- 371.200364 193.5
[M+NH4]+ 390.241463 202.7
[M+K]+ 411.170798 188.4
[M+H-H2O]+ 355.204900 178.7
[M+HCOO]- 417.205841 199.8
[M+CH3COO]- 431.221491 218.2
[M+Na-2H]- 393.182306 186.8
[M]+ 372.20709142 179.1
[M]- 372.20818858 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