CID 133625

81199-24-8

Structural Information

Molecular Formula

C₁₁H₉Br₂NO₂

SMILES

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

InChI

InChI=1S/C11H9Br2NO2/c1-14-10(15)5-9(11(14)16)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3

InChIKey

TWHLAMOBWLHCHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 344.9 Da
Monoisotopic Mass: 2.2
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]+	345.90728	151.5
[M+Na]+	367.88922	163.7
[M-H]-	343.89272	160.3
[M+NH4]+	362.93382	170.1
[M+K]+	383.86316	148.5
[M+H-H2O]+	327.89726	159.6
[M+HCOO]-	389.89820	166.8
[M+CH3COO]-	403.91385	209.8
[M+Na-2H]-	365.87467	154.9
[M]+	344.89945	185.4
[M]-	344.90055	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe