CID 57915868

1,1,1,3,3,3-hexafluoro-2-(3-((1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl)oxy)-2,2-bis(((1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl)oxy)methyl)propoxy)-2-(trifluoromethyl)propane

Structural Information

Molecular Formula
C21H8F36O4
SMILES
C(C(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H8F36O4/c22-10(23,24)6(11(25,26)27,12(28,29)30)58-1-5(2-59-7(13(31,32)33,14(34,35)36)15(37,38)39,3-60-8(16(40,41)42,17(43,44)45)18(46,47)48)4-61-9(19(49,50)51,20(52,53)54)21(55,56)57/h1-4H2
InChIKey
LYOKOJQBUZRTMX-UHFFFAOYSA-N
Compound name
1,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2231
Patents

1007.9848 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1008.9921 237.9
[M+Na]+ 1030.9740 238.8
[M-H]- 1006.9775 250.9
[M+NH4]+ 1026.0186 250.5
[M+K]+ 1046.9480 254.4
[M+H-H2O]+ 990.98206 225.6
[M+HCOO]- 1052.9830 251.4
[M+CH3COO]- 1066.9987 277.0
[M+Na-2H]- 1028.9595 240.5
[M]+ 1007.9843 234.0
[M]- 1007.9853 234.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe