CID 15430973

208338-49-2

Structural Information

Molecular Formula
C21H27F5O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C21H27F5O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25,26)27-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3
InChIKey
QDQBCDLRUZIZSB-UHFFFAOYSA-N
Compound name
5-[[4-(4-ethylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

390.1982 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20548 200.0
[M+Na]+ 413.18742 206.1
[M+NH4]+ 408.23202 203.7
[M+K]+ 429.16136 199.1
[M-H]- 389.19092 198.0
[M+Na-2H]- 411.17287 201.0
[M]+ 390.19765 200.0
[M]- 390.19875 200.0
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