CID 19436588

650634-92-7

Structural Information

Molecular Formula
C21H23F3O
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C21H23F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h7-16H,2-6H2,1H3
InChIKey
UKPTVLGWOKOZRG-UHFFFAOYSA-N
Compound name
1-(4-ethylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

348.1701 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17738 183.3
[M+Na]+ 371.15932 188.5
[M-H]- 347.16282 187.9
[M+NH4]+ 366.20392 195.9
[M+K]+ 387.13326 182.5
[M+H-H2O]+ 331.16736 171.6
[M+HCOO]- 393.16830 197.5
[M+CH3COO]- 407.18395 213.1
[M+Na-2H]- 369.14477 183.4
[M]+ 348.16955 176.4
[M]- 348.17065 176.4
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