CID 6454118

61097-96-9

Structural Information

Molecular Formula
C17F30O7
SMILES
C(=O)(C(C(F)(F)F)(OC1(C(OC(C(O1)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F)F)C(C(F)(F)F)(OC2(C(OC(C(O2)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F)F
InChI
InChI=1S/C17F30O7/c18-2(8(24,25)26,49-16(46)6(22,12(36,37)38)51-14(42,43)4(20,53-16)10(30,31)32)1(48)3(19,9(27,28)29)50-17(47)7(23,13(39,40)41)52-15(44,45)5(21,54-17)11(33,34)35
InChIKey
CBUWIAZYOKAVDV-UHFFFAOYSA-N
Compound name
1,1,1,2,4,5,5,5-octafluoro-2,4-bis[[2,3,5,5,6-pentafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-yl]oxy]pentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

885.9165 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 886.92378 169.3
[M+Na]+ 908.90572 169.3
[M+NH4]+ 903.95032 169.3
[M+K]+ 924.87966 169.3
[M-H]- 884.90922 169.3
[M+Na-2H]- 906.89117 169.3
[M]+ 885.91595 169.3
[M]- 885.91705 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