CID 542843

77395-10-9

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

CC1=CC(=CC2=C1NC(=O)C2=O)Br

InChI

InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)

InChIKey

NPRAKNSGKOICIE-UHFFFAOYSA-N

Compound name

5-bromo-7-methyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 238.95819 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]+	239.96547	145.7
[M+Na]+	261.94741	148.8
[M+NH4]+	256.99201	150.1
[M+K]+	277.92135	150.5
[M-H]-	237.95091	145.0
[M+Na-2H]-	259.93286	146.6
[M]+	238.95764	144.6
[M]-	238.95874	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe