CID 75796

2,5-dimethyl-2,5-di(benzoylperoxy)hexane

Structural Information

Molecular Formula
C22H26O6
SMILES
CC(C)(CCC(C)(C)OOC(=O)C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H26O6/c1-21(2,27-25-19(23)17-11-7-5-8-12-17)15-16-22(3,4)28-26-20(24)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKey
RIPYNJLMMFGZSX-UHFFFAOYSA-N
Compound name
(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19992
Patents

386.17294 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 192.2
[M+Na]+ 409.16216 195.5
[M-H]- 385.16566 197.8
[M+NH4]+ 404.20676 202.8
[M+K]+ 425.13610 194.7
[M+H-H2O]+ 369.17020 183.7
[M+HCOO]- 431.17114 210.3
[M+CH3COO]- 445.18679 217.6
[M+Na-2H]- 407.14761 196.1
[M]+ 386.17239 198.8
[M]- 386.17349 198.8
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