CID 52988024

3-bromopyrazolo[1,5-b]pyridazine

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CC2=C(C=NN2N=C1)Br
InChI
InChI=1S/C6H4BrN3/c7-5-4-9-10-6(5)2-1-3-8-10/h1-4H
InChIKey
KJJXLSMSVBLMDA-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

196.95886 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 134.2
[M+Na]+ 219.94808 139.3
[M+NH4]+ 214.99268 139.4
[M+K]+ 235.92202 140.1
[M-H]- 195.95158 133.9
[M+Na-2H]- 217.93353 138.7
[M]+ 196.95831 133.6
[M]- 196.95941 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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