CID 30032964

2-chloro-4-(4-methoxyphenyl)thiazole

Structural Information

Molecular Formula

C₁₀H₈ClNOS

SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)Cl

InChI

InChI=1S/C10H8ClNOS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3

InChIKey

STQGABPTLYUHSE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.00151 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]+	226.008786	144.4
[M+Na]+	247.990728	155.9
[M-H]-	223.994234	151.0
[M+NH4]+	243.035333	165.0
[M+K]+	263.964668	151.2
[M+H-H2O]+	207.998770	138.6
[M+HCOO]-	269.999711	160.2
[M+CH3COO]-	284.015361	158.6
[M+Na-2H]-	245.976176	146.8
[M]+	225.00096142	149.9
[M]-	225.00205858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe