CID 22285684

40982-31-8

Structural Information

Molecular Formula

SMILES

CC(C1=NC=CS1)Cl

InChI

InChI=1S/C5H6ClNS/c1-4(6)5-7-2-3-8-5/h2-4H,1H3

InChIKey

REGJKLHADIYSNP-UHFFFAOYSA-N

Compound name

2-(1-chloroethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 146.99095 Da
Monoisotopic Mass: 1.8
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]+	147.99823	126.7
[M+Na]+	169.98017	139.1
[M+NH4]+	165.02477	136.9
[M+K]+	185.95411	132.2
[M-H]-	145.98367	128.5
[M+Na-2H]-	167.96562	132.7
[M]+	146.99040	129.7
[M]-	146.99150	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe