CID 10821768

195967-10-3

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

CC(=O)C1=CC(=CC(=N1)C(=O)C)Cl

InChI

InChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3

InChIKey

HVWKKCHGZJFEQD-UHFFFAOYSA-N

Compound name

1-(6-acetyl-4-chloropyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 197.02435 Da
Monoisotopic Mass: 1.5
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]+	198.03163	137.8
[M+Na]+	220.01357	151.6
[M+NH4]+	215.05817	145.6
[M+K]+	235.98751	145.9
[M-H]-	196.01707	138.6
[M+Na-2H]-	217.99902	144.1
[M]+	197.02380	140.2
[M]-	197.02490	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe