CID 14513

3,4-dichloro-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₄HCl₂NO₂

SMILES

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

InChI

InChI=1S/C4HCl2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)

InChIKey

KVBAKSQRUXXHCK-UHFFFAOYSA-N

Compound name

3,4-dichloropyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 489
Patents: 164.93843 Da
Monoisotopic Mass: 1.0
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]+	165.94571	125.7
[M+Na]+	187.92765	137.9
[M-H]-	163.93115	126.8
[M+NH4]+	182.97225	147.7
[M+K]+	203.90159	132.9
[M+H-H2O]+	147.93569	122.4
[M+HCOO]-	209.93663	139.2
[M+CH3COO]-	223.95228	171.3
[M+Na-2H]-	185.91310	129.3
[M]+	164.93788	126.6
[M]-	164.93898	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe