CID 54418889

51132-06-0

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

C1=CC2=C(N=CN2C=C1)C(=O)CCl

InChI

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

InChIKey

VZKDIBCIERXEKS-UHFFFAOYSA-N

Compound name

2-chloro-1-imidazo[1,5-a]pyridin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.02469 Da
Monoisotopic Mass: 2.5
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	136.1
[M+Na]+	217.01391	150.9
[M+NH4]+	212.05851	145.0
[M+K]+	232.98785	145.4
[M-H]-	193.01741	137.3
[M+Na-2H]-	214.99936	143.4
[M]+	194.02414	138.8
[M]-	194.02524	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe