CID 12604385

2-chloro-n-[4-(3-chlorophenoxy)phenyl]acetamide

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)NC(=O)CCl

InChI

InChI=1S/C14H11Cl2NO2/c15-9-14(18)17-11-4-6-12(7-5-11)19-13-3-1-2-10(16)8-13/h1-8H,9H2,(H,17,18)

InChIKey

BPROOLMEEMVDHI-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(3-chlorophenoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.0167 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]+	296.023976	161.9
[M+Na]+	318.005918	170.7
[M-H]-	294.009424	168.0
[M+NH4]+	313.050523	178.3
[M+K]+	333.979858	164.6
[M+H-H2O]+	278.013960	155.9
[M+HCOO]-	340.014901	177.3
[M+CH3COO]-	354.030551	200.7
[M+Na-2H]-	315.991366	166.4
[M]+	295.01615142	166.1
[M]-	295.01724858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe