CID 79398945

1-(4-bromo-1,3-thiazol-2-yl)-1h-1,2,4-triazole

Structural Information

Molecular Formula

C₅H₃BrN₄S

SMILES

C1=C(N=C(S1)N2C=NC=N2)Br

InChI

InChI=1S/C5H3BrN4S/c6-4-1-11-5(9-4)10-3-7-2-8-10/h1-3H

InChIKey

ZOXHVYGHAYEQLN-UHFFFAOYSA-N

Compound name

4-bromo-2-(1,2,4-triazol-1-yl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.92618 Da
Monoisotopic Mass: 2.1
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]+	230.93346	136.1
[M+Na]+	252.91540	140.2
[M+NH4]+	247.96000	140.8
[M+K]+	268.88934	141.8
[M-H]-	228.91890	136.2
[M+Na-2H]-	250.90085	140.6
[M]+	229.92563	135.9
[M]-	229.92673	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe