CID 2763297

4175-77-3

Structural Information

Molecular Formula

SMILES

C1=C(N=C(S1)Br)Br

InChI

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

InChIKey

MKEJZKKVVUZXIS-UHFFFAOYSA-N

Compound name

2,4-dibromo-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1867
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]+	241.82694	114.3
[M+Na]+	263.80888	128.9
[M-H]-	239.81238	121.6
[M+NH4]+	258.85348	137.1
[M+K]+	279.78282	113.9
[M+H-H2O]+	223.81692	123.8
[M+HCOO]-	285.81786	128.9
[M+CH3COO]-	299.83351	192.3
[M+Na-2H]-	261.79433	122.0
[M]+	240.81911	149.9
[M]-	240.82021	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe