CID 53407596

2-chloro-1-(2-chloro-thiazol-5-yl)-ethanone

Structural Information

Molecular Formula

C₅H₃Cl₂NOS

SMILES

C1=C(SC(=N1)Cl)C(=O)CCl

InChI

InChI=1S/C5H3Cl2NOS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2

InChIKey

HLWSJFNCRQBIDA-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 194.93124 Da
Monoisotopic Mass: 2.6
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]+	195.93852	136.6
[M+Na]+	217.92046	149.2
[M+NH4]+	212.96506	145.7
[M+K]+	233.89440	142.3
[M-H]-	193.92396	137.4
[M+Na-2H]-	215.90591	141.6
[M]+	194.93069	139.5
[M]-	194.93179	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe