CID 87147097

Bis(1h,1h,2h,2h-perfluorohexyl) carbonate

Structural Information

Molecular Formula
C13H8F18O3
SMILES
C(COC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F18O3/c14-6(15,8(18,19)10(22,23)12(26,27)28)1-3-33-5(32)34-4-2-7(16,17)9(20,21)11(24,25)13(29,30)31/h1-4H2
InChIKey
UBGPASCOGXQXLD-UHFFFAOYSA-N
Compound name
bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

554.0186 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.02588 161.0
[M+Na]+ 577.00782 161.1
[M+NH4]+ 572.05242 160.9
[M+K]+ 592.98176 161.5
[M-H]- 553.01132 160.0
[M+Na-2H]- 574.99327 161.4
[M]+ 554.01805 160.7
[M]- 554.01915 160.7
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