CID 472921

Nsc732200

Structural Information

Molecular Formula

C₁₁H₇ClN₂OS

SMILES

C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)O

InChI

InChI=1S/C11H7ClN2OS/c12-10-6-14-5-9(13-11(14)16-10)7-1-3-8(15)4-2-7/h1-6,15H

InChIKey

VTUPXNINHAIJMA-UHFFFAOYSA-N

Compound name

4-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.99677 Da
Monoisotopic Mass: 4.1
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]+	251.00405	151.1
[M+Na]+	272.98599	165.3
[M-H]-	248.98949	157.1
[M+NH4]+	268.03059	172.0
[M+K]+	288.95993	159.3
[M+H-H2O]+	232.99403	145.8
[M+HCOO]-	294.99497	166.1
[M+CH3COO]-	309.01062	165.4
[M+Na-2H]-	270.97144	153.0
[M]+	249.99622	157.5
[M]-	249.99732	157.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.