CID 2736407

Ethyl 4,6-dichloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO₂

SMILES

CCOC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Cl

InChI

InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3

InChIKey

YLAHLUPONQVSOT-UHFFFAOYSA-N

Compound name

ethyl 4,6-dichloro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 257.00104 Da
Monoisotopic Mass: 3.9
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]+	258.00832	150.0
[M+Na]+	279.99026	164.9
[M+NH4]+	275.03486	158.6
[M+K]+	295.96420	159.1
[M-H]-	255.99376	151.0
[M+Na-2H]-	277.97571	155.7
[M]+	257.00049	153.0
[M]-	257.00159	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe