CID 22241749

96436-27-0

Structural Information

Molecular Formula
C18H18O4
SMILES
CC1=CC(=C(C=C1)C(=O)OOC(=O)C2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C18H18O4/c1-11-5-7-15(13(3)9-11)17(19)21-22-18(20)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3
InChIKey
JRKBQVTYVJXPBU-UHFFFAOYSA-N
Compound name
(2,4-dimethylbenzoyl) 2,4-dimethylbenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

298.1205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.127776 167.2
[M+Na]+ 321.109718 175.7
[M-H]- 297.113224 174.7
[M+NH4]+ 316.154323 182.9
[M+K]+ 337.083658 173.4
[M+H-H2O]+ 281.117760 159.6
[M+HCOO]- 343.118701 189.5
[M+CH3COO]- 357.134351 205.1
[M+Na-2H]- 319.095166 168.1
[M]+ 298.11995142 172.2
[M]- 298.12104858 172.2
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