CID 58758599

Ethyl 5-chlorothiazole-4-carboxylate

Structural Information

Molecular Formula

C₆H₆ClNO₂S

SMILES

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

InChI

InChI=1S/C6H6ClNO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3

InChIKey

FUWZDBRUOMUDCX-UHFFFAOYSA-N

Compound name

ethyl 5-chloro-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 190.98077 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]+	191.98805	137.3
[M+Na]+	213.96999	148.9
[M+NH4]+	209.01459	145.8
[M+K]+	229.94393	142.9
[M-H]-	189.97349	137.8
[M+Na-2H]-	211.95544	141.8
[M]+	190.98022	139.7
[M]-	190.98132	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe