CID 21262349

7-bromoimidazo[4,3-b][1,3]thiazole

Structural Information

Molecular Formula

C₅H₃BrN₂S

SMILES

C1=CSC2=C(N=CN21)Br

InChI

InChI=1S/C5H3BrN2S/c6-4-5-8(3-7-4)1-2-9-5/h1-3H

InChIKey

ZBBPDHZTQRZZGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 201.92003 Da
Monoisotopic Mass: 2.9
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]+	202.92731	124.6
[M+Na]+	224.90925	141.9
[M-H]-	200.91275	131.5
[M+NH4]+	219.95385	151.0
[M+K]+	240.88319	131.9
[M+H-H2O]+	184.91729	126.3
[M+HCOO]-	246.91823	144.4
[M+CH3COO]-	260.93388	142.8
[M+Na-2H]-	222.89470	131.6
[M]+	201.91948	147.7
[M]-	201.92058	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe