CID 12778217

83393-47-9

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

C1=CC2=C(NC=C2C(=O)CCl)N=C1

InChI

InChI=1S/C9H7ClN2O/c10-4-8(13)7-5-12-9-6(7)2-1-3-11-9/h1-3,5H,4H2,(H,11,12)

InChIKey

RGALXXOVJMEHOD-UHFFFAOYSA-N

Compound name

2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.02469 Da
Monoisotopic Mass: 1.6
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]+	195.03197	136.6
[M+Na]+	217.01391	150.9
[M+NH4]+	212.05851	145.2
[M+K]+	232.98785	145.7
[M-H]-	193.01741	137.4
[M+Na-2H]-	214.99936	143.3
[M]+	194.02414	139.1
[M]-	194.02524	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe