CID 87147097

1132677-78-1

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
2
Annotation Hits

0
References

15
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 176.1
[M+Na]+ 577.00782 181.5
[M-H]- 553.01132 183.7
[M+NH4]+ 572.05242 187.4
[M+K]+ 592.98176 190.2
[M+H-H2O]+ 537.01586 166.5
[M+HCOO]- 599.01680 194.6
[M+CH3COO]- 613.03245 243.7
[M+Na-2H]- 574.99327 174.9
[M]+ 554.01805 174.2
[M]- 554.01915 174.2
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