CID 10487776

5,6-dichloroindole

Structural Information

Molecular Formula

SMILES

C1=CNC2=CC(=C(C=C21)Cl)Cl

InChI

InChI=1S/C8H5Cl2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

InChIKey

ILINOHVVKWYAFM-UHFFFAOYSA-N

Compound name

5,6-dichloro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 184.9799 Da
Monoisotopic Mass: 3.3
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]+	185.98718	131.2
[M+Na]+	207.96912	147.5
[M+NH4]+	203.01372	141.7
[M+K]+	223.94306	140.5
[M-H]-	183.97262	133.6
[M+Na-2H]-	205.95457	139.3
[M]+	184.97935	134.9
[M]-	184.98045	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe