CID 77871

(isopropylidene)bis(1-methyl-1-phenylethyl) peroxide

Structural Information

Molecular Formula
C21H28O4
SMILES
CC(C)(C1=CC=CC=C1)OOC(C)(C)OOC(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C21H28O4/c1-19(2,17-13-9-7-10-14-17)22-24-21(5,6)25-23-20(3,4)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKey
FVCYRIQNOFIDCH-UHFFFAOYSA-N
Compound name
2-[2-(2-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

344.19876 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.206036 184.2
[M+Na]+ 367.187978 188.6
[M-H]- 343.191484 190.2
[M+NH4]+ 362.232583 197.1
[M+K]+ 383.161918 187.2
[M+H-H2O]+ 327.196020 176.4
[M+HCOO]- 389.196961 202.2
[M+CH3COO]- 403.212611 212.5
[M+Na-2H]- 365.173426 191.5
[M]+ 344.19821142 190.0
[M]- 344.19930858 190.0
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