CID 7179

Bis(4-chlorobenzoyl) peroxide

Structural Information

Molecular Formula
C14H8Cl2O4
SMILES
C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
OXYKVVLTXXXVRT-UHFFFAOYSA-N
Compound name
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

16668
Patents

309.97995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.987226 160.6
[M+Na]+ 332.969168 170.3
[M-H]- 308.972674 167.3
[M+NH4]+ 328.013773 176.7
[M+K]+ 348.943108 165.6
[M+H-H2O]+ 292.977210 155.0
[M+HCOO]- 354.978151 174.9
[M+CH3COO]- 368.993801 198.8
[M+Na-2H]- 330.954616 164.0
[M]+ 309.97940142 167.1
[M]- 309.98049858 167.1
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