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
3
Annotation Hits

0
References

17614
Patents

386.17294 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.180216 192.2
[M+Na]+ 409.162158 195.5
[M-H]- 385.165664 197.8
[M+NH4]+ 404.206763 202.8
[M+K]+ 425.136098 194.7
[M+H-H2O]+ 369.170200 183.7
[M+HCOO]- 431.171141 210.3
[M+CH3COO]- 445.186791 217.6
[M+Na-2H]- 407.147606 196.1
[M]+ 386.17239142 198.8
[M]- 386.17348858 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