CID 351870

3-bromo-1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₁₀H₆BrNO₂

SMILES

C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Br

InChI

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

InChIKey

XPWBLMOTTABVDZ-UHFFFAOYSA-N

Compound name

3-bromo-1-phenylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 250.95819 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]+	251.965466	143.8
[M+Na]+	273.947408	157.3
[M-H]-	249.950914	152.7
[M+NH4]+	268.992013	165.4
[M+K]+	289.921348	146.2
[M+H-H2O]+	233.955450	143.7
[M+HCOO]-	295.956391	166.0
[M+CH3COO]-	309.972041	188.7
[M+Na-2H]-	271.932856	149.5
[M]+	250.95764142	162.7
[M]-	250.95873858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe