CID 16427134

5-bromo-2-methoxythiazole

Structural Information

Molecular Formula

SMILES

COC1=NC=C(S1)Br

InChI

InChI=1S/C4H4BrNOS/c1-7-4-6-2-3(5)8-4/h2H,1H3

InChIKey

BGUMXMYDARUQAH-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxy-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 192.9197 Da
Monoisotopic Mass: 2.3
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]+	193.926976	121.8
[M+Na]+	215.908918	136.6
[M-H]-	191.912424	128.2
[M+NH4]+	210.953523	146.6
[M+K]+	231.882858	126.6
[M+H-H2O]+	175.916960	122.9
[M+HCOO]-	237.917901	140.7
[M+CH3COO]-	251.933551	177.1
[M+Na-2H]-	213.894366	128.1
[M]+	192.91915142	143.9
[M]-	192.92024858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe