CID 670632

15386-58-0

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO₂

SMILES

C1CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C10H7Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2

InChIKey

JPQAYGXNGGHZAG-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 242.98538 Da
Monoisotopic Mass: 1.6
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]+	243.99266	148.4
[M+Na]+	265.97460	159.8
[M-H]-	241.97810	153.6
[M+NH4]+	261.01920	167.9
[M+K]+	281.94854	154.0
[M+H-H2O]+	225.98264	143.0
[M+HCOO]-	287.98358	161.5
[M+CH3COO]-	301.99923	188.6
[M+Na-2H]-	263.96005	149.8
[M]+	242.98483	150.4
[M]-	242.98593	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe