CID 129972947

4-(4-bromo-1h-pyrazol-1-yl)thiazole

Structural Information

Molecular Formula

C₆H₄BrN₃S

SMILES

C1=C(C=NN1C2=CSC=N2)Br

InChI

InChI=1S/C6H4BrN3S/c7-5-1-9-10(2-5)6-3-11-4-8-6/h1-4H

InChIKey

NBVIMCUBPQPBSA-UHFFFAOYSA-N

Compound name

4-(4-bromopyrazol-1-yl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.93092 Da
Monoisotopic Mass: 1.9
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]+	229.93820	136.1
[M+Na]+	251.92014	140.2
[M+NH4]+	246.96474	141.4
[M+K]+	267.89408	141.4
[M-H]-	227.92364	136.9
[M+Na-2H]-	249.90559	140.8
[M]+	228.93037	136.1
[M]-	228.93147	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.