CID 84819740

3-bromo-6-chloro-1h-pyrazolo[4,3-b]pyridine

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=C(C=NC2=C(NN=C21)Br)Cl
InChI
InChI=1S/C6H3BrClN3/c7-6-5-4(10-11-6)1-3(8)2-9-5/h1-2H,(H,10,11)
InChIKey
LCLYMFQWQQLDSJ-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-2H-pyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.91989 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 141.2
[M+Na]+ 253.90911 146.9
[M+NH4]+ 248.95371 146.3
[M+K]+ 269.88305 147.2
[M-H]- 229.91261 140.6
[M+Na-2H]- 251.89456 144.9
[M]+ 230.91934 140.9
[M]- 230.92044 140.9
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.