CID 61078

133-14-2

Structural Information

Molecular Formula
C14H6Cl4O4
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OOC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKey
WRXCBRHBHGNNQA-UHFFFAOYSA-N
Compound name
(2,4-dichlorobenzoyl) 2,4-dichlorobenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

34645
Patents

377.902 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.90928 169.4
[M+Na]+ 400.89122 180.1
[M-H]- 376.89472 173.7
[M+NH4]+ 395.93582 183.0
[M+K]+ 416.86516 174.8
[M+H-H2O]+ 360.89926 165.5
[M+HCOO]- 422.90020 172.7
[M+CH3COO]- 436.91585 211.2
[M+Na-2H]- 398.87667 169.4
[M]+ 377.90145 176.1
[M]- 377.90255 176.1
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