CID 83195

13167-25-4

Structural Information

Molecular Formula

C₁₀H₄Cl₃NO₂

SMILES

C1=CC(=O)N(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

InChIKey

VHZJMAJCUAWIHV-UHFFFAOYSA-N

Compound name

1-(2,4,6-trichlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2923
Patents: 274.93076 Da
Monoisotopic Mass: 2.9
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]+	275.93804	153.5
[M+Na]+	297.91998	166.5
[M-H]-	273.92348	158.0
[M+NH4]+	292.96458	171.9
[M+K]+	313.89392	159.9
[M+H-H2O]+	257.92802	148.6
[M+HCOO]-	319.92896	162.4
[M+CH3COO]-	333.94461	194.8
[M+Na-2H]-	295.90543	154.1
[M]+	274.93021	157.2
[M]-	274.93131	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe