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: 179
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	124.0
[M+Na]+	171.95943	135.1
[M-H]-	147.96293	126.0
[M+NH4]+	167.00403	146.9
[M+K]+	187.93337	131.6
[M+H-H2O]+	131.96747	119.9
[M+HCOO]-	193.96841	138.5
[M+CH3COO]-	207.98406	167.3
[M+Na-2H]-	169.94488	127.2
[M]+	148.96966	127.2
[M]-	148.97076	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe