CID 853828

157491-16-2

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C=CC=C2Cl)Cl

InChI

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

InChIKey

DLSZPRUJGBYYHP-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 295.0167 Da
Monoisotopic Mass: 2.9
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]+	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