CID 2517656

23421-57-0

Structural Information

Molecular Formula

C₁₁H₁₀ClNOS

SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CCl

InChI

InChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3

InChIKey

QUGNZVWIWYZXEC-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 239.01717 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]+	240.02445	149.7
[M+Na]+	262.00639	164.6
[M+NH4]+	257.05099	159.8
[M+K]+	277.98033	156.0
[M-H]-	238.00989	154.0
[M+Na-2H]-	259.99184	158.0
[M]+	239.01662	154.0
[M]-	239.01772	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe