CID 501364

187326-67-6

Structural Information

Molecular Formula

C₈H₃Br₂NO₂

SMILES

C1=C(C=C(C2=C1NC(=O)C2=O)Br)Br

InChI

InChI=1S/C8H3Br2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)

InChIKey

UGFPBMXSBFXNBX-UHFFFAOYSA-N

Compound name

4,6-dibromo-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 302.85306 Da
Monoisotopic Mass: 2.1
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]+	303.86034	140.7
[M+Na]+	325.84228	153.7
[M-H]-	301.84578	146.9
[M+NH4]+	320.88688	160.8
[M+K]+	341.81622	138.1
[M+H-H2O]+	285.85032	149.5
[M+HCOO]-	347.85126	155.5
[M+CH3COO]-	361.86691	201.3
[M+Na-2H]-	323.82773	146.8
[M]+	302.85251	174.1
[M]-	302.85361	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe