CID 138396444

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(pentafluorophenyl)propan-1-one

Structural Information

Molecular Formula
C15F22O3
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C15F22O3/c16-2-1(3(17)5(19)6(20)4(2)18)7(38)8(21,11(25,26)27)39-15(36,37)10(24,13(31,32)33)40-14(34,35)9(22,23)12(28,29)30
InChIKey
UEECKBUYHXWTDF-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

645.9496 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.95688 161.4
[M+Na]+ 668.93882 161.5
[M+NH4]+ 663.98342 161.5
[M+K]+ 684.91276 162.0
[M-H]- 644.94232 161.3
[M+Na-2H]- 666.92427 162.0
[M]+ 645.94905 161.4
[M]- 645.95015 161.4
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

No patent data available for this compound.