CID 70700590

1173721-45-3

Structural Information

Molecular Formula

C₈H₅BrN₂O₂

SMILES

CN1C2=C(C=C(C=N2)Br)C(=O)C1=O

InChI

InChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3

InChIKey

AJQKBOXVCYDTSS-UHFFFAOYSA-N

Compound name

5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.95345 Da
Monoisotopic Mass: 0.9
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]+	240.96073	145.6
[M+Na]+	262.94267	149.1
[M+NH4]+	257.98727	149.6
[M+K]+	278.91661	150.9
[M-H]-	238.94617	144.5
[M+Na-2H]-	260.92812	146.7
[M]+	239.95290	144.4
[M]-	239.95400	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe