CID 45081536

16099-04-0

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4HCl2NOS/c5-3(8)2-1-9-4(6)7-2/h1H

InChIKey

OCMPHVBYKQYVJS-UHFFFAOYSA-N

Compound name

2-chloro-1,3-thiazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 180.91559 Da
Monoisotopic Mass: 2.8
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]+	181.922866	129.4
[M+Na]+	203.904808	140.9
[M-H]-	179.908314	132.3
[M+NH4]+	198.949413	151.7
[M+K]+	219.878748	136.8
[M+H-H2O]+	163.912850	125.7
[M+HCOO]-	225.913791	139.3
[M+CH3COO]-	239.929441	174.8
[M+Na-2H]-	201.890256	131.1
[M]+	180.91504142	133.7
[M]-	180.91613858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe