CID 708855

53534-14-8

Structural Information

Molecular Formula

C₁₀H₆BrNO₂

SMILES

C1=CC(=CC(=C1)Br)N2C(=O)C=CC2=O

InChI

InChI=1S/C10H6BrNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H

InChIKey

KJJYDECLTBAKCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 56
Patents: 250.95819 Da
Monoisotopic Mass: 1.8
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]+	251.96547	143.8
[M+Na]+	273.94741	157.3
[M-H]-	249.95091	152.7
[M+NH4]+	268.99201	165.4
[M+K]+	289.92135	146.2
[M+H-H2O]+	233.95545	143.7
[M+HCOO]-	295.95639	166.0
[M+CH3COO]-	309.97204	188.7
[M+Na-2H]-	271.93286	149.5
[M]+	250.95764	162.7
[M]-	250.95874	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe