CID 15481067

98278-78-5

Structural Information

Molecular Formula

C₇H₂BrNO₃

SMILES

C1=C(C=NC2=C1C(=O)OC2=O)Br

InChI

InChI=1S/C7H2BrNO3/c8-3-1-4-5(9-2-3)7(11)12-6(4)10/h1-2H

InChIKey

FMIBWNJUQJRTER-UHFFFAOYSA-N

Compound name

3-bromofuro[3,4-b]pyridine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 226.92181 Da
Monoisotopic Mass: 1.2
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]+	227.92909	134.9
[M+Na]+	249.91103	149.7
[M-H]-	225.91453	142.4
[M+NH4]+	244.95563	157.3
[M+K]+	265.88497	140.5
[M+H-H2O]+	209.91907	135.8
[M+HCOO]-	271.92001	155.8
[M+CH3COO]-	285.93566	184.0
[M+Na-2H]-	247.89648	143.5
[M]+	226.92126	155.9
[M]-	226.92236	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe