CID 220918

N-benzyl-2,4-dichlorobenzamide

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

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

InChI

InChI=1S/C14H11Cl2NO/c15-11-6-7-12(13(16)8-11)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)

InChIKey

MTCXGMSQPQEAEY-UHFFFAOYSA-N

Compound name

N-benzyl-2,4-dichlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.02176 Da
Monoisotopic Mass: 3.9
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]+	280.02904	159.3
[M+Na]+	302.01098	168.2
[M-H]-	278.01448	165.3
[M+NH4]+	297.05558	176.3
[M+K]+	317.98492	161.4
[M+H-H2O]+	262.01902	153.5
[M+HCOO]-	324.01996	174.4
[M+CH3COO]-	338.03561	198.7
[M+Na-2H]-	299.99643	163.7
[M]+	279.02121	162.1
[M]-	279.02231	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe