CID 135672

106671-91-4

Structural Information

Molecular Formula

C₁₁H₆ClN₃OS

SMILES

C1=CC(=CC=C1C2=C(N3C=CSC3=N2)N=O)Cl

InChI

InChI=1S/C11H6ClN3OS/c12-8-3-1-7(2-4-8)9-10(14-16)15-5-6-17-11(15)13-9/h1-6H

InChIKey

ZDQMYXXOUIFQQE-UHFFFAOYSA-N

Compound name

6-(4-chlorophenyl)-5-nitrosoimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 262.992 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]+	263.99928	154.9
[M+Na]+	285.98122	169.3
[M-H]-	261.98472	163.5
[M+NH4]+	281.02582	176.1
[M+K]+	301.95516	164.2
[M+H-H2O]+	245.98926	148.5
[M+HCOO]-	307.99020	173.9
[M+CH3COO]-	322.00585	169.8
[M+Na-2H]-	283.96667	158.1
[M]+	262.99145	163.5
[M]-	262.99255	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe