CID 71721295

2-(2-chlorothiazol-5-yl)ethanol

Structural Information

Molecular Formula

SMILES

C1=C(SC(=N1)Cl)CCO

InChI

InChI=1S/C5H6ClNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2

InChIKey

DJNRCFHUEKWBTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.98586 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]+	163.99314	129.9
[M+Na]+	185.97508	141.9
[M+NH4]+	181.01968	139.1
[M+K]+	201.94902	135.3
[M-H]-	161.97858	130.8
[M+Na-2H]-	183.96053	134.9
[M]+	162.98531	132.5
[M]-	162.98641	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.