CID 20653935

Tfpo-cf2-3dodfp

Structural Information

Molecular Formula
C20H17F7O3
SMILES
CCCC1COC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F
InChI
InChI=1S/C20H17F7O3/c1-2-3-10-8-28-19(29-9-10)11-4-13(21)17(14(22)5-11)20(26,27)30-12-6-15(23)18(25)16(24)7-12/h4-7,10,19H,2-3,8-9H2,1H3
InChIKey
UGOWFGHCPJGZLF-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

438.1066 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.11388 203.2
[M+Na]+ 461.09582 213.0
[M-H]- 437.09932 205.5
[M+NH4]+ 456.14042 210.3
[M+K]+ 477.06976 208.8
[M+H-H2O]+ 421.10386 188.2
[M+HCOO]- 483.10480 211.8
[M+CH3COO]- 497.12045 231.1
[M+Na-2H]- 459.08127 200.0
[M]+ 438.10605 197.1
[M]- 438.10715 197.1
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