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
2
Annotation Hits

0
References

2219
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 152.6
[M+Na]+ 448.94652 160.4
[M-H]- 424.95002 161.0
[M+NH4]+ 443.99112 164.4
[M+K]+ 464.92046 163.8
[M+H-H2O]+ 408.95456 159.2
[M+HCOO]- 470.95550 171.7
[M+CH3COO]- 484.97115 220.6
[M+Na-2H]- 446.93197 153.0
[M]+ 425.95675 151.3
[M]- 425.95785 151.3
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