CID 312394

2,5-dibromothiazole

Structural Information

Molecular Formula

SMILES

C1=C(SC(=N1)Br)Br

InChI

InChI=1S/C3HBr2NS/c4-2-1-6-3(5)7-2/h1H

InChIKey

XIBIQFJKUZZLLX-UHFFFAOYSA-N

Compound name

2,5-dibromo-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1167
Patents: 240.81966 Da
Monoisotopic Mass: 3.0
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]+	241.826936	114.3
[M+Na]+	263.808878	128.9
[M-H]-	239.812384	121.6
[M+NH4]+	258.853483	137.1
[M+K]+	279.782818	113.9
[M+H-H2O]+	223.816920	123.8
[M+HCOO]-	285.817861	128.9
[M+CH3COO]-	299.833511	192.3
[M+Na-2H]-	261.794326	122.0
[M]+	240.81911142	149.9
[M]-	240.82020858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe