CID 604782

135734-59-7

Structural Information

Molecular Formula
C21H29F3O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C21H29F3O/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/h11-18H,2-10H2,1H3
InChIKey
PBIFTROFCZATFC-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

354.21704 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22432 187.4
[M+Na]+ 377.20626 189.5
[M-H]- 353.20976 190.8
[M+NH4]+ 372.25086 199.5
[M+K]+ 393.18020 184.1
[M+H-H2O]+ 337.21430 175.8
[M+HCOO]- 399.21524 197.3
[M+CH3COO]- 413.23089 214.3
[M+Na-2H]- 375.19171 184.5
[M]+ 354.21649 176.2
[M]- 354.21759 176.2
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