CID 234744

2-chloro-n-(3,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₆Cl₃NO

SMILES

C1=CC(=C(C=C1NC(=O)CCl)Cl)Cl

InChI

InChI=1S/C8H6Cl3NO/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)

InChIKey

UOCOWKGCPPCUMT-UHFFFAOYSA-N

Compound name

2-chloro-N-(3,4-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 236.95149 Da
Monoisotopic Mass: 3.3
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]+	237.95877	144.2
[M+Na]+	259.94071	154.0
[M-H]-	235.94421	146.4
[M+NH4]+	254.98531	163.1
[M+K]+	275.91465	148.3
[M+H-H2O]+	219.94875	141.2
[M+HCOO]-	281.94969	154.3
[M+CH3COO]-	295.96534	190.7
[M+Na-2H]-	257.92616	148.1
[M]+	236.95094	146.8
[M]-	236.95204	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe