CID 211312

3-(3-bromophenyl)-1-ethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₁₂H₁₂BrNO₂

SMILES

CCN1C(=O)CC(C1=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3

InChIKey

SKUVHUHIBWHUSB-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)-1-ethylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.00513 Da
Monoisotopic Mass: 1.9
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]+	282.012406	154.5
[M+Na]+	303.994348	167.0
[M-H]-	279.997854	163.0
[M+NH4]+	299.038953	175.1
[M+K]+	319.968288	155.6
[M+H-H2O]+	264.002390	154.1
[M+HCOO]-	326.003331	174.6
[M+CH3COO]-	340.018981	195.8
[M+Na-2H]-	301.979796	157.5
[M]+	281.00458142	173.0
[M]-	281.00567858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.