CID 302754

N-(4-bromophenyl)-2-(4-chlorophenoxy)acetamide

Structural Information

Molecular Formula

C₁₄H₁₁BrClNO₂

SMILES

C1=CC(=CC=C1NC(=O)COC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C14H11BrClNO2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9H2,(H,17,18)

InChIKey

USPQXWOMWBPRCW-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-2-(4-chlorophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 338.96616 Da
Monoisotopic Mass: 4.0
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]+	339.973436	165.2
[M+Na]+	361.955378	176.4
[M-H]-	337.958884	174.2
[M+NH4]+	356.999983	183.0
[M+K]+	377.929318	163.0
[M+H-H2O]+	321.963420	164.3
[M+HCOO]-	383.964361	183.1
[M+CH3COO]-	397.980011	205.2
[M+Na-2H]-	359.940826	171.3
[M]+	338.96561142	186.4
[M]-	338.96670858	186.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.