CID 79293

2,2-dichloro-n-methylacetamide

Structural Information

Molecular Formula

C₃H₅Cl₂NO

SMILES

CNC(=O)C(Cl)Cl

InChI

InChI=1S/C3H5Cl2NO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)

InChIKey

BLQDAFLFPNDCMJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 140.97482 Da
Monoisotopic Mass: 0.9
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]+	141.982096	123.0
[M+Na]+	163.964038	131.5
[M-H]-	139.967544	123.1
[M+NH4]+	159.008643	145.4
[M+K]+	179.937978	128.8
[M+H-H2O]+	123.972080	120.7
[M+HCOO]-	185.973021	137.7
[M+CH3COO]-	199.988671	173.8
[M+Na-2H]-	161.949486	128.1
[M]+	140.97427142	124.3
[M]-	140.97536858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe