CID 132353902

2138034-19-0

Structural Information

Molecular Formula

SMILES

C1=C(C=NS1)C(=O)CCl

InChI

InChI=1S/C5H4ClNOS/c6-1-5(8)4-2-7-9-3-4/h2-3H,1H2

InChIKey

VJQCALGVEOYCAZ-UHFFFAOYSA-N

Compound name

2-chloro-1-(1,2-thiazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.97021 Da
Monoisotopic Mass: 1.3
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]+	161.97749	129.7
[M+Na]+	183.95943	141.6
[M+NH4]+	179.00403	138.9
[M+K]+	199.93337	135.1
[M-H]-	159.96293	130.7
[M+Na-2H]-	181.94488	135.0
[M]+	160.96966	132.2
[M]-	160.97076	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.