CID 22766969

61097-98-1

Structural Information

Molecular Formula
C16F30O6
SMILES
C1(C(OC(C(O1)(F)F)(C(F)(F)F)F)(OC(C(C(F)(F)F)(OC2(C(OC(C(O2)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F)F)(C(F)(F)F)F)F)(C(F)(F)F)F
InChI
InChI=1S/C16F30O6/c17-1(7(23,24)25,49-15(45)5(21,11(35,36)37)47-13(41,42)3(19,51-15)9(29,30)31)2(18,8(26,27)28)50-16(46)6(22,12(38,39)40)48-14(43,44)4(20,52-16)10(32,33)34
InChIKey
AUDGRIDGLXZITI-UHFFFAOYSA-N
Compound name
2,2,3,5,6-pentafluoro-5-[1,1,1,2,3,4,4,4-octafluoro-3-[[2,3,5,5,6-pentafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-yl]oxy]butan-2-yl]oxy-3,6-bis(trifluoromethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

857.9216 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.92888 169.3
[M+Na]+ 880.91082 169.3
[M+NH4]+ 875.95542 169.3
[M+K]+ 896.88476 169.3
[M-H]- 856.91432 169.3
[M+Na-2H]- 878.89627 169.3
[M]+ 857.92105 169.3
[M]- 857.92215 169.3
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