CID 21057412

Tfpo-cf2-3doch

Structural Information

Molecular Formula
C20H25F5O3
SMILES
CCCC1COC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C20H25F5O3/c1-2-3-12-10-26-19(27-11-12)13-4-6-14(7-5-13)20(24,25)28-15-8-16(21)18(23)17(22)9-15/h8-9,12-14,19H,2-7,10-11H2,1H3
InChIKey
LLJXGHOYBQJBOX-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

408.1724 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17968 198.8
[M+Na]+ 431.16162 203.5
[M-H]- 407.16512 201.7
[M+NH4]+ 426.20622 206.4
[M+K]+ 447.13556 200.7
[M+H-H2O]+ 391.16966 185.6
[M+HCOO]- 453.17060 205.4
[M+CH3COO]- 467.18625 224.4
[M+Na-2H]- 429.14707 195.5
[M]+ 408.17185 190.0
[M]- 408.17295 190.0
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