CID 4659218

5-bromo-7-chloro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula

C₈H₃BrClNO₂

SMILES

C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Br

InChI

InChI=1S/C8H3BrClNO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)

InChIKey

UTTYWJPFQPXSJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.90356 Da
Monoisotopic Mass: 2.0
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]+	259.91084	143.3
[M+Na]+	281.89278	159.1
[M-H]-	257.89628	148.9
[M+NH4]+	276.93738	166.2
[M+K]+	297.86672	145.5
[M+H-H2O]+	241.90082	145.0
[M+HCOO]-	303.90176	158.6
[M+CH3COO]-	317.91741	187.1
[M+Na-2H]-	279.87823	149.1
[M]+	258.90301	163.0
[M]-	258.90411	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe