CID 11230188

129833-54-1

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

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

InChI

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

InChIKey

GTMRDSCDZYHHFY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
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]+	239.965466	142.1
[M+Na]+	261.947408	156.4
[M-H]-	237.950914	147.7
[M+NH4]+	256.992013	164.9
[M+K]+	277.921348	144.5
[M+H-H2O]+	221.955450	143.0
[M+HCOO]-	283.956391	161.5
[M+CH3COO]-	297.972041	186.4
[M+Na-2H]-	259.932856	147.7
[M]+	238.95764142	160.4
[M]-	238.95873858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe