CID 283428

102587-44-0

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO2/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H,17,18)

InChIKey

BDWKTILYBMLIMT-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 295.0167 Da
Monoisotopic Mass: 4.4
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]+	296.02398	161.7
[M+Na]+	318.00592	171.5
[M-H]-	294.00942	168.3
[M+NH4]+	313.05052	178.4
[M+K]+	333.97986	165.5
[M+H-H2O]+	278.01396	156.0
[M+HCOO]-	340.01490	177.2
[M+CH3COO]-	354.03055	201.9
[M+Na-2H]-	315.99137	165.6
[M]+	295.01615	166.4
[M]-	295.01725	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe