CID 12333155

2,4-dichlorothiazole

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3HCl2NS/c4-2-1-7-3(5)6-2/h1H

InChIKey

ICETWLGKJXCIDX-UHFFFAOYSA-N

Compound name

2,4-dichloro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 665
Patents: 152.92067 Da
Monoisotopic Mass: 2.9
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]+	153.92795	122.6
[M+Na]+	175.90989	134.7
[M-H]-	151.91339	125.4
[M+NH4]+	170.95449	146.2
[M+K]+	191.88383	130.6
[M+H-H2O]+	135.91793	118.9
[M+HCOO]-	197.91887	133.3
[M+CH3COO]-	211.93452	137.5
[M+Na-2H]-	173.89534	125.7
[M]+	152.92012	126.3
[M]-	152.92122	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe