CID 10476422

Tfpo-cf2-3pych

Structural Information

Molecular Formula
C21H27F5O2
SMILES
CCCC1CCC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C21H27F5O2/c1-2-3-13-4-9-19(27-12-13)14-5-7-15(8-6-14)21(25,26)28-16-10-17(22)20(24)18(23)11-16/h10-11,13-15,19H,2-9,12H2,1H3
InChIKey
GHZSVNSWBGRMRF-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-propyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

406.1931 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20038 198.8
[M+Na]+ 429.18232 203.0
[M-H]- 405.18582 200.8
[M+NH4]+ 424.22692 207.8
[M+K]+ 445.15626 198.3
[M+H-H2O]+ 389.19036 185.4
[M+HCOO]- 451.19130 205.7
[M+CH3COO]- 465.20695 224.9
[M+Na-2H]- 427.16777 194.1
[M]+ 406.19255 188.2
[M]- 406.19365 188.2
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