CID 2756735

1,3-bis(3-oxaperfluoro-2-hexyl)-1,3-propanedione

Structural Information

Molecular Formula
C13H2F22O4
SMILES
C(C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13H2F22O4/c14-4(8(20,21)22,38-12(32,33)6(16,17)10(26,27)28)2(36)1-3(37)5(15,9(23,24)25)39-13(34,35)7(18,19)11(29,30)31/h1H2
InChIKey
UNLIPKHWLXWFAN-UHFFFAOYSA-N
Compound name
1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

639.9602 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.96748 152.8
[M+Na]+ 662.94942 152.8
[M+NH4]+ 657.99402 152.8
[M+K]+ 678.92336 152.8
[M-H]- 638.95292 152.8
[M+Na-2H]- 660.93487 152.8
[M]+ 639.95965 152.8
[M]- 639.96075 152.8
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