CID 11037323

Bis(heptafluorobutyryl)peroxide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2138
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 174.5
[M+Na]+ 448.94652 174.4
[M+NH4]+ 443.99112 173.6
[M+K]+ 464.92046 173.8
[M-H]- 424.95002 170.7
[M+Na-2H]- 446.93197 173.2
[M]+ 425.95675 173.3
[M]- 425.95785 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe