CID 91667308

1352546-83-8

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C2C=NNC2=NN=C1Br
InChI
InChI=1S/C5H3BrN4/c6-4-1-3-2-7-9-5(3)10-8-4/h1-2H,(H,7,9,10)
InChIKey
BIZFTGNWASLKGX-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrazolo[3,4-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.95412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.961396 127.4
[M+Na]+ 220.943338 142.6
[M-H]- 196.946844 129.3
[M+NH4]+ 215.987943 147.6
[M+K]+ 236.917278 131.2
[M+H-H2O]+ 180.951380 126.7
[M+HCOO]- 242.952321 146.7
[M+CH3COO]- 256.967971 143.0
[M+Na-2H]- 218.928786 139.0
[M]+ 197.95357142 146.3
[M]- 197.95466858 146.3
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.