CID 21854902

En300-26977449

Structural Information

Molecular Formula

SMILES

C1=C(SC2=NN=NN21)Br

InChI

InChI=1S/C3HBrN4S/c4-2-1-8-3(9-2)5-6-7-8/h1H

InChIKey

COUMHDCMADFSMV-UHFFFAOYSA-N

Compound name

5-bromo-[1,3]thiazolo[2,3-e]tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.91052 Da
Monoisotopic Mass: 1.4
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]+	204.91780	119.9
[M+Na]+	226.89974	138.1
[M-H]-	202.90324	124.6
[M+NH4]+	221.94434	143.7
[M+K]+	242.87368	128.5
[M+H-H2O]+	186.90778	120.9
[M+HCOO]-	248.90872	138.1
[M+CH3COO]-	262.92437	137.7
[M+Na-2H]-	224.88519	127.7
[M]+	203.90997	143.3
[M]-	203.91107	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.