CID 14822859

51417-52-8

Structural Information

Molecular Formula
C14H6Cl4O3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H6Cl4O3/c15-7-1-3-9(11(17)5-7)13(19)21-14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKey
MEIRCVABHWFXDR-UHFFFAOYSA-N
Compound name
(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

361.9071 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.91438 167.4
[M+Na]+ 384.89632 178.1
[M-H]- 360.89982 171.5
[M+NH4]+ 379.94092 181.5
[M+K]+ 400.87026 172.1
[M+H-H2O]+ 344.90436 163.6
[M+HCOO]- 406.90530 170.3
[M+CH3COO]- 420.92095 209.9
[M+Na-2H]- 382.88177 167.2
[M]+ 361.90655 172.7
[M]- 361.90765 172.7
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