CID 71335627

111632-55-4

Structural Information

Molecular Formula
C8F14O4
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)OOC(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8F14O4/c9-3(5(11,12)13,6(14,15)16)1(23)25-26-2(24)4(10,7(17,18)19)8(20,21)22
InChIKey
XCKKKAIEPFRARY-UHFFFAOYSA-N
Compound name
[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoyl] 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.9573 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.96458 153.4
[M+Na]+ 448.94652 161.3
[M-H]- 424.95002 162.0
[M+NH4]+ 443.99112 165.2
[M+K]+ 464.92046 164.5
[M+H-H2O]+ 408.95456 159.5
[M+HCOO]- 470.95550 172.6
[M+CH3COO]- 484.97115 219.4
[M+Na-2H]- 446.93197 175.5
[M]+ 425.95675 151.9
[M]- 425.95785 151.9
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

No patent data available for this compound.