CID 2763179

2-chloro-5-chloromethylthiazole

Structural Information

Molecular Formula

C₄H₃Cl₂NS

SMILES

C1=C(SC(=N1)Cl)CCl

InChI

InChI=1S/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2

InChIKey

VRMUIVKEHJSADG-UHFFFAOYSA-N

Compound name

2-chloro-5-(chloromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1565
Patents: 166.93633 Da
Monoisotopic Mass: 2.3
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]+	167.94361	127.1
[M+Na]+	189.92555	138.8
[M-H]-	165.92905	129.8
[M+NH4]+	184.97015	150.2
[M+K]+	205.89949	134.5
[M+H-H2O]+	149.93359	123.3
[M+HCOO]-	211.93453	137.5
[M+CH3COO]-	225.95018	173.0
[M+Na-2H]-	187.91100	129.7
[M]+	166.93578	131.2
[M]-	166.93688	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe