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: 45
Patents: 361.9071 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	362.91438	173.7
[M+Na]+	384.89632	189.9
[M+NH4]+	379.94092	181.5
[M+K]+	400.87026	181.3
[M-H]-	360.89982	176.4
[M+Na-2H]-	382.88177	181.1
[M]+	361.90655	178.0
[M]-	361.90765	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe