CID 21057409

Tfpo-cf2-2doch

Structural Information

Molecular Formula
C19H23F5O3
SMILES
CCC1COC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C19H23F5O3/c1-2-11-9-25-18(26-10-11)12-3-5-13(6-4-12)19(23,24)27-14-7-15(20)17(22)16(21)8-14/h7-8,11-13,18H,2-6,9-10H2,1H3
InChIKey
CQPIZARIKDQLNR-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-ethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

394.15674 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16402 194.1
[M+Na]+ 417.14596 199.3
[M-H]- 393.14946 197.3
[M+NH4]+ 412.19056 202.4
[M+K]+ 433.11990 196.7
[M+H-H2O]+ 377.15400 181.1
[M+HCOO]- 439.15494 201.1
[M+CH3COO]- 453.17059 221.4
[M+Na-2H]- 415.13141 191.4
[M]+ 394.15619 185.0
[M]- 394.15729 185.0
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