CID 24219260

861708-66-9

Structural Information

Molecular Formula

C₅H₃Cl₂NO₂S

SMILES

COC(=O)C1=C(N=C(S1)Cl)Cl

InChI

InChI=1S/C5H3Cl2NO2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3

InChIKey

OLMLGJKUAHTNRN-UHFFFAOYSA-N

Compound name

methyl 2,4-dichloro-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 210.92615 Da
Monoisotopic Mass: 3.1
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]+	211.93343	139.6
[M+Na]+	233.91537	152.2
[M+NH4]+	228.95997	148.2
[M+K]+	249.88931	145.9
[M-H]-	209.91887	140.0
[M+Na-2H]-	231.90082	144.0
[M]+	210.92560	142.4
[M]-	210.92670	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe