CID 21262441

5,7-dibromoimidazo[4,3-b][1,3]thiazole

Structural Information

Molecular Formula

C₅H₂Br₂N₂S

SMILES

C1=CSC2=C(N=C(N21)Br)Br

InChI

InChI=1S/C5H2Br2N2S/c6-3-4-9(1-2-10-4)5(7)8-3/h1-2H

InChIKey

XONJQWXYPFMMAC-UHFFFAOYSA-N

Compound name

5,7-dibromoimidazo[5,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.83054 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]+	280.83782	123.0
[M+Na]+	302.81976	139.7
[M-H]-	278.82326	130.9
[M+NH4]+	297.86436	146.3
[M+K]+	318.79370	125.4
[M+H-H2O]+	262.82780	133.2
[M+HCOO]-	324.82874	138.4
[M+CH3COO]-	338.84439	140.3
[M+Na-2H]-	300.80521	130.4
[M]+	279.82999	161.0
[M]-	279.83109	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe