CID 37829

Dichlormid

Structural Information

Molecular Formula

C₈H₁₁Cl₂NO

SMILES

C=CCN(CC=C)C(=O)C(Cl)Cl

InChI

InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2

InChIKey

YRMLFORXOOIJDR-UHFFFAOYSA-N

Compound name

2,2-dichloro-N,N-bis(prop-2-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 10
References: 18558
Patents: 207.02177 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]+	208.029046	143.1
[M+Na]+	230.010988	150.5
[M-H]-	206.014494	144.1
[M+NH4]+	225.055593	163.6
[M+K]+	245.984928	146.6
[M+H-H2O]+	190.019030	139.9
[M+HCOO]-	252.019971	157.2
[M+CH3COO]-	266.035621	190.3
[M+Na-2H]-	227.996436	145.0
[M]+	207.02122142	146.4
[M]-	207.02231858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe