CID 4714974

Methyl 4-chloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

COC(=O)C1=CC2=C(N1)C=CC=C2Cl

InChI

InChI=1S/C10H8ClNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3

InChIKey

VCWSTLMSXZPPMD-UHFFFAOYSA-N

Compound name

methyl 4-chloro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 209.02435 Da
Monoisotopic Mass: 3.1
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]+	210.03163	139.8
[M+Na]+	232.01357	154.0
[M+NH4]+	227.05817	148.5
[M+K]+	247.98751	149.1
[M-H]-	208.01707	140.9
[M+Na-2H]-	229.99902	146.0
[M]+	209.02380	142.4
[M]-	209.02490	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe