CID 21985817

5198-85-6

Structural Information

Molecular Formula

SMILES

C1=C(N=C(S1)Cl)CO

InChI

InChI=1S/C4H4ClNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2

InChIKey

PYGGEOFNOAVTCT-UHFFFAOYSA-N

Compound name

(2-chloro-1,3-thiazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 148.97021 Da
Monoisotopic Mass: 1.1
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]+	149.97749	125.5
[M+Na]+	171.95943	137.7
[M+NH4]+	167.00403	134.9
[M+K]+	187.93337	131.3
[M-H]-	147.96293	126.5
[M+Na-2H]-	169.94488	130.7
[M]+	148.96966	128.1
[M]-	148.97076	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe