CID 14984828

Dtxsid90566544

Structural Information

Molecular Formula
C20H27F3
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3
InChIKey
DXFHMMVZUZLQFU-UHFFFAOYSA-N
Compound name
5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

324.20648 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21376 179.7
[M+Na]+ 347.19570 183.7
[M-H]- 323.19920 183.8
[M+NH4]+ 342.24030 193.6
[M+K]+ 363.16964 177.4
[M+H-H2O]+ 307.20374 168.2
[M+HCOO]- 369.20468 191.3
[M+CH3COO]- 383.22033 211.8
[M+Na-2H]- 345.18115 175.0
[M]+ 324.20593 168.0
[M]- 324.20703 168.0
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