CID 146761

93553-55-0

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO₂

SMILES

CN1C(=O)CC(C1=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C11H9Cl2NO2/c1-14-10(15)5-9(11(14)16)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3

InChIKey

JFMFCONNXYHWLV-UHFFFAOYSA-N

Compound name

3-(3,5-dichlorophenyl)-1-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 0
Patents: 257.00104 Da
Monoisotopic Mass: 2.1
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]+	258.008316	152.4
[M+Na]+	279.990258	164.3
[M-H]-	255.993764	157.9
[M+NH4]+	275.034863	171.7
[M+K]+	295.964198	158.4
[M+H-H2O]+	239.998300	147.2
[M+HCOO]-	301.999241	165.3
[M+CH3COO]-	316.014891	192.8
[M+Na-2H]-	277.975706	152.7
[M]+	257.00049142	155.2
[M]-	257.00158858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.