CID 12532249

6501-79-7

Structural Information

Molecular Formula

C₉H₆ClNO₃

SMILES

COC1=C(C=CC2=C1NC(=O)C2=O)Cl

InChI

InChI=1S/C9H6ClNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13)

InChIKey

WINIDLWIIZXCJC-UHFFFAOYSA-N

Compound name

6-chloro-7-methoxy-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 211.00362 Da
Monoisotopic Mass: 1.3
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]+	212.01090	139.1
[M+Na]+	233.99284	152.3
[M+NH4]+	229.03744	147.1
[M+K]+	249.96678	148.1
[M-H]-	209.99634	139.4
[M+Na-2H]-	231.97829	143.1
[M]+	211.00307	141.1
[M]-	211.00417	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe