CID 76426

Bis(2-chlorobenzoyl) peroxide

Structural Information

Molecular Formula
C14H8Cl2O4
SMILES
C1=CC=C(C(=C1)C(=O)OOC(=O)C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C14H8Cl2O4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKey
JMYZLRSSLFFUQN-UHFFFAOYSA-N
Compound name
(2-chlorobenzoyl) 2-chlorobenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3364
Patents

309.97995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.98723 160.6
[M+Na]+ 332.96917 170.3
[M-H]- 308.97267 167.3
[M+NH4]+ 328.01377 176.7
[M+K]+ 348.94311 165.6
[M+H-H2O]+ 292.97721 155.0
[M+HCOO]- 354.97815 174.9
[M+CH3COO]- 368.99380 198.8
[M+Na-2H]- 330.95462 164.0
[M]+ 309.97940 167.1
[M]- 309.98050 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