CID 2115215

21278-77-3

Structural Information

Molecular Formula

C₁₀H₆ClNOS

SMILES

C1=CC(=CC=C1C2=NC(=CS2)C=O)Cl

InChI

InChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H

InChIKey

QVEJNZQGJYCMKA-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 222.98586 Da
Monoisotopic Mass: 3.0
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]+	223.99314	145.0
[M+Na]+	245.97508	160.1
[M+NH4]+	241.01968	154.9
[M+K]+	261.94902	151.6
[M-H]-	221.97858	149.0
[M+Na-2H]-	243.96053	153.4
[M]+	222.98531	149.1
[M]-	222.98641	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe