CID 790308

3,4-dichloro-n-(2,6-dichlorophenyl)benzamide

Structural Information

Molecular Formula

C₁₃H₇Cl₄NO

SMILES

C1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C13H7Cl4NO/c14-8-5-4-7(6-11(8)17)13(19)18-12-9(15)2-1-3-10(12)16/h1-6H,(H,18,19)

InChIKey

NZSOXPDHNQMIHW-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-(2,6-dichlorophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 332.92816 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]+	333.935436	166.9
[M+Na]+	355.917378	177.2
[M-H]-	331.920884	170.4
[M+NH4]+	350.961983	181.8
[M+K]+	371.891318	170.1
[M+H-H2O]+	315.925420	162.8
[M+HCOO]-	377.926361	171.1
[M+CH3COO]-	391.942011	208.4
[M+Na-2H]-	353.902826	167.9
[M]+	332.92761142	169.6
[M]-	332.92870858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe