CID 12511940

60706-07-2

Structural Information

Molecular Formula

C₉H₆ClNO₃

SMILES

COC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2

InChI

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

InChIKey

VZPMNHWRRJFLFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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