CID 154812

3-chloro-4-(dichloromethylene)-2,5-pyrrolidinedione

Structural Information

Molecular Formula

C₅H₂Cl₃NO₂

SMILES

C1(C(=C(Cl)Cl)C(=O)NC1=O)Cl

InChI

InChI=1S/C5H2Cl3NO2/c6-2-1(3(7)8)4(10)9-5(2)11/h2H,(H,9,10,11)

InChIKey

GUWJHDWPNSUUCW-UHFFFAOYSA-N

Compound name

3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.91512 Da
Monoisotopic Mass: 1.4
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]+	213.92240	138.6
[M+Na]+	235.90434	149.1
[M-H]-	211.90784	138.2
[M+NH4]+	230.94894	158.2
[M+K]+	251.87828	143.1
[M+H-H2O]+	195.91238	135.7
[M+HCOO]-	257.91332	144.1
[M+CH3COO]-	271.92897	179.8
[M+Na-2H]-	233.88979	138.4
[M]+	212.91457	136.9
[M]-	212.91567	136.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.