CID 64993224

2-(4-bromo-1h-pyrazol-3-yl)-1,3-thiazole

Structural Information

Molecular Formula
C6H4BrN3S
SMILES
C1=CSC(=N1)C2=C(C=NN2)Br
InChI
InChI=1S/C6H4BrN3S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,(H,9,10)
InChIKey
SCMPDQDVFAIXRB-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.93092 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93820 129.1
[M+Na]+ 251.92014 145.5
[M-H]- 227.92364 135.7
[M+NH4]+ 246.96474 151.3
[M+K]+ 267.89408 134.2
[M+H-H2O]+ 211.92818 129.6
[M+HCOO]- 273.92912 147.5
[M+CH3COO]- 287.94477 146.0
[M+Na-2H]- 249.90559 134.5
[M]+ 228.93037 150.0
[M]- 228.93147 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.