CID 11495583

Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate

Structural Information

Molecular Formula
C9H4F14O3
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F14O3/c10-4(11,6(14,15)8(18,19)20)1-25-3(24)26-2-5(12,13)7(16,17)9(21,22)23/h1-2H2
InChIKey
JHDDOTOJUMBYKS-UHFFFAOYSA-N
Compound name
bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

425.99368 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.00096 178.7
[M+Na]+ 448.98290 161.5
[M-H]- 424.98640 159.8
[M+NH4]+ 444.02750 163.8
[M+K]+ 464.95684 185.5
[M+H-H2O]+ 408.99094 164.5
[M+HCOO]- 470.99188 174.5
[M+CH3COO]- 485.00753 222.4
[M+Na-2H]- 446.96835 180.9
[M]+ 425.99313 153.1
[M]- 425.99423 153.1
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