CID 14279

3,4-dibromo-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₄HBr₂NO₂

SMILES

C1(=C(C(=O)NC1=O)Br)Br

InChI

InChI=1S/C4HBr2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)

InChIKey

BIKSKRPHKQWJCW-UHFFFAOYSA-N

Compound name

3,4-dibromopyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 1165
Patents: 252.8374 Da
Monoisotopic Mass: 1.1
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]+	253.844676	128.5
[M+Na]+	275.826618	141.5
[M-H]-	251.830124	134.0
[M+NH4]+	270.871223	149.2
[M+K]+	291.800558	126.1
[M+H-H2O]+	235.834660	137.0
[M+HCOO]-	297.835601	144.4
[M+CH3COO]-	311.851251	193.2
[M+Na-2H]-	273.812066	134.7
[M]+	252.83685142	161.1
[M]-	252.83794858	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe