CID 71328238

Tert-butyl heptafluorobutaneperoxoate

Structural Information

Molecular Formula
C8H9F7O3
SMILES
CC(C)(C)OOC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F7O3/c1-5(2,3)18-17-4(16)6(9,10)7(11,12)8(13,14)15/h1-3H3
InChIKey
IEIUNVABWRASPD-UHFFFAOYSA-N
Compound name
tert-butyl 2,2,3,3,4,4,4-heptafluorobutaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

286.044 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05128 151.7
[M+Na]+ 309.03322 160.3
[M-H]- 285.03672 143.8
[M+NH4]+ 304.07782 167.3
[M+K]+ 325.00716 159.8
[M+H-H2O]+ 269.04126 142.7
[M+HCOO]- 331.04220 161.2
[M+CH3COO]- 345.05785 198.9
[M+Na-2H]- 307.01867 156.4
[M]+ 286.04345 144.8
[M]- 286.04455 144.8
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