CID 88311

Peroxide, [1,3,5-benzenetriyltris(1-methylethylidene)]tris[(1,1-dimethylethyl)

Structural Information

Molecular Formula
C27H48O6
SMILES
CC(C)(C)OOC(C)(C)C1=CC(=CC(=C1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C27H48O6/c1-22(2,3)28-31-25(10,11)19-16-20(26(12,13)32-29-23(4,5)6)18-21(17-19)27(14,15)33-30-24(7,8)9/h16-18H,1-15H3
InChIKey
WKKRYWQLVOISAU-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-tert-butylperoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

753
Patents

468.3451 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.35238 212.0
[M+Na]+ 491.33432 215.2
[M-H]- 467.33782 198.6
[M+NH4]+ 486.37892 205.9
[M+K]+ 507.30826 217.2
[M+H-H2O]+ 451.34236 206.6
[M+HCOO]- 513.34330 220.5
[M+CH3COO]- 527.35895 240.5
[M+Na-2H]- 489.31977 219.1
[M]+ 468.34455 207.9
[M]- 468.34565 207.9
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

patents stripe