CID 132398777

3-bromo-4-chloropyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=CN2C(=C(C=N2)Br)C(=N1)Cl
InChI
InChI=1S/C6H3BrClN3/c7-4-3-10-11-2-1-9-6(8)5(4)11/h1-3H
InChIKey
GYPMFYDHSLJIMS-UHFFFAOYSA-N
Compound name
3-bromo-4-chloropyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.91989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 140.2
[M+Na]+ 253.90911 146.4
[M+NH4]+ 248.95371 145.6
[M+K]+ 269.88305 146.5
[M-H]- 229.91261 140.0
[M+Na-2H]- 251.89456 144.5
[M]+ 230.91934 140.1
[M]- 230.92044 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.