CID 79515721

1-(4-bromophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

C1C(=O)CN(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrNO2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h1-4H,5-6H2

InChIKey

GNKZOPPXCBPXAY-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)pyrrolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.97385 Da
Monoisotopic Mass: 1.7
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]+	253.98113	146.0
[M+Na]+	275.96307	158.5
[M-H]-	251.96657	154.4
[M+NH4]+	271.00767	167.3
[M+K]+	291.93701	147.5
[M+H-H2O]+	235.97111	145.8
[M+HCOO]-	297.97205	166.8
[M+CH3COO]-	311.98770	189.1
[M+Na-2H]-	273.94852	150.7
[M]+	252.97330	163.5
[M]-	252.97440	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe