CID 78518

4792-67-0

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Cl

InChI

InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

InChIKey

LWKIFKYHCJAIAB-UHFFFAOYSA-N

Compound name

ethyl 5-chloro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 490
Patents: 223.04001 Da
Monoisotopic Mass: 3.8
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]+	224.04729	144.4
[M+Na]+	246.02923	158.5
[M+NH4]+	241.07383	152.9
[M+K]+	262.00317	153.2
[M-H]-	222.03273	145.5
[M+Na-2H]-	244.01468	150.4
[M]+	223.03946	146.9
[M]-	223.04056	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe