CID 56828825

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

Structural Information

Molecular Formula
C6H4BrN3S
SMILES
C1=CSC(=N1)N2C=C(C=N2)Br
InChI
InChI=1S/C6H4BrN3S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H
InChIKey
QNSYQSPKBSGFIM-UHFFFAOYSA-N
Compound name
2-(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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93820 128.5
[M+Na]+ 251.92014 145.4
[M-H]- 227.92364 136.4
[M+NH4]+ 246.96474 151.4
[M+K]+ 267.89408 135.0
[M+H-H2O]+ 211.92818 128.9
[M+HCOO]- 273.92912 148.3
[M+CH3COO]- 287.94477 146.0
[M+Na-2H]- 249.90559 134.3
[M]+ 228.93037 151.1
[M]- 228.93147 151.1
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.