CID 329951

75001-32-0

Structural Information

Molecular Formula

C₆H₃BrN₂OS

SMILES

C1=CSC2=NC(=C(N21)C=O)Br

InChI

InChI=1S/C6H3BrN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-3H

InChIKey

JKJHAEZYEICEFN-UHFFFAOYSA-N

Compound name

6-bromoimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.91495 Da
Monoisotopic Mass: 2.7
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]+	230.92223	131.2
[M+Na]+	252.90417	148.8
[M-H]-	228.90767	138.2
[M+NH4]+	247.94877	156.5
[M+K]+	268.87811	138.2
[M+H-H2O]+	212.91221	132.7
[M+HCOO]-	274.91315	150.8
[M+CH3COO]-	288.92880	149.0
[M+Na-2H]-	250.88962	137.1
[M]+	229.91440	155.5
[M]-	229.91550	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.