CID 80771

5,7-dichloroisatin

Structural Information

Molecular Formula

C₈H₃Cl₂NO₂

SMILES

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

InChI

InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)

InChIKey

AYGGQJHJRFZDFH-UHFFFAOYSA-N

Compound name

5,7-dichloro-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1398
Patents: 214.95409 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]+	215.96137	137.0
[M+Na]+	237.94331	151.3
[M+NH4]+	232.98791	145.7
[M+K]+	253.91725	146.1
[M-H]-	213.94681	137.7
[M+Na-2H]-	235.92876	141.8
[M]+	214.95354	139.7
[M]-	214.95464	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe