CID 118136061

Tfpo-cf2-2pych

Structural Information

Molecular Formula
C20H25F5O2
SMILES
CCC1CCC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C20H25F5O2/c1-2-12-3-8-18(26-11-12)13-4-6-14(7-5-13)20(24,25)27-15-9-16(21)19(23)17(22)10-15/h9-10,12-14,18H,2-8,11H2,1H3
InChIKey
IUJBWTOTTMZNEP-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-ethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

392.17746 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18474 194.2
[M+Na]+ 415.16668 198.8
[M-H]- 391.17018 196.5
[M+NH4]+ 410.21128 203.8
[M+K]+ 431.14062 194.4
[M+H-H2O]+ 375.17472 181.1
[M+HCOO]- 437.17566 201.5
[M+CH3COO]- 451.19131 222.0
[M+Na-2H]- 413.15213 190.1
[M]+ 392.17691 183.3
[M]- 392.17801 183.3
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