CID 12471426

3884-32-0

Structural Information

Molecular Formula

C₁₀H₈ClNS

SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)Cl

InChI

InChI=1S/C10H8ClNS/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3

InChIKey

ILSSCCSGGFYZNM-UHFFFAOYSA-N

Compound name

2-chloro-4-(4-methylphenyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 209.00659 Da
Monoisotopic Mass: 3.9
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]+	210.01387	142.0
[M+Na]+	231.99581	157.6
[M+NH4]+	227.04041	152.8
[M+K]+	247.96975	148.6
[M-H]-	207.99931	146.8
[M+Na-2H]-	229.98126	151.0
[M]+	209.00604	146.6
[M]-	209.00714	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe