CID 12495468

14217-66-4

Structural Information

Molecular Formula

SMILES

C1=CSN=C1Cl

InChI

InChI=1S/C3H2ClNS/c4-3-1-2-6-5-3/h1-2H

InChIKey

NDSJUDPCTYRQFX-UHFFFAOYSA-N

Compound name

3-chloro-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 118.95965 Da
Monoisotopic Mass: 1.9
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]+	119.96693	116.3
[M+Na]+	141.94887	127.5
[M-H]-	117.95237	119.5
[M+NH4]+	136.99347	140.8
[M+K]+	157.92281	124.8
[M+H-H2O]+	101.95691	111.9
[M+HCOO]-	163.95785	132.3
[M+CH3COO]-	177.97350	131.8
[M+Na-2H]-	139.93432	121.0
[M]+	118.95910	119.1
[M]-	118.96020	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe