CID 30000

N-ethyl-dichloromaleinimide

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂

SMILES

CCN1C(=O)C(=C(C1=O)Cl)Cl

InChI

InChI=1S/C6H5Cl2NO2/c1-2-9-5(10)3(7)4(8)6(9)11/h2H2,1H3

InChIKey

UNOAAQSLIJPNKG-UHFFFAOYSA-N

Compound name

3,4-dichloro-1-ethylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 192.96973 Da
Monoisotopic Mass: 1.5
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]+	193.97701	133.5
[M+Na]+	215.95895	146.2
[M-H]-	191.96245	136.1
[M+NH4]+	211.00355	155.4
[M+K]+	231.93289	141.7
[M+H-H2O]+	175.96699	129.9
[M+HCOO]-	237.96793	147.9
[M+CH3COO]-	251.98358	180.9
[M+Na-2H]-	213.94440	136.0
[M]+	192.96918	137.5
[M]-	192.97028	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe