CID 45158653

944581-09-3

Structural Information

Molecular Formula

C₅H₃BrN₂S

SMILES

C1=CN2C=C(SC2=N1)Br

InChI

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

InChIKey

XEEFWBXJKDWNCM-UHFFFAOYSA-N

Compound name

2-bromoimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	202.927306	124.6
[M+Na]+	224.909248	141.9
[M-H]-	200.912754	131.5
[M+NH4]+	219.953853	151.0
[M+K]+	240.883188	131.9
[M+H-H2O]+	184.917290	126.3
[M+HCOO]-	246.918231	144.4
[M+CH3COO]-	260.933881	142.8
[M+Na-2H]-	222.894696	131.6
[M]+	201.91948142	147.7
[M]-	201.92057858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe