CID 532121

2153-09-5

Structural Information

Molecular Formula

C₉H₉Cl₂NO₂

SMILES

COC1=CC=C(C=C1)NC(=O)C(Cl)Cl

InChI

InChI=1S/C9H9Cl2NO2/c1-14-7-4-2-6(3-5-7)12-9(13)8(10)11/h2-5,8H,1H3,(H,12,13)

InChIKey

IKDULUPZZPGFFJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(4-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 233.00104 Da
Monoisotopic Mass: 2.4
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]+	234.00832	144.9
[M+Na]+	255.99026	153.4
[M-H]-	231.99376	148.1
[M+NH4]+	251.03486	163.9
[M+K]+	271.96420	149.2
[M+H-H2O]+	215.99830	140.9
[M+HCOO]-	277.99924	159.7
[M+CH3COO]-	292.01489	189.9
[M+Na-2H]-	253.97571	149.1
[M]+	233.00049	148.5
[M]-	233.00159	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe