CID 45789717

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

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CN=C2C(=C1Br)C=NN2
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
InChIKey
JVFQAGXECPOKFX-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

196.95886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 128.8
[M+Na]+ 219.94808 143.6
[M-H]- 195.95158 131.9
[M+NH4]+ 214.99268 150.4
[M+K]+ 235.92202 132.1
[M+H-H2O]+ 179.95612 128.6
[M+HCOO]- 241.95706 149.0
[M+CH3COO]- 255.97271 144.7
[M+Na-2H]- 217.93353 139.9
[M]+ 196.95831 147.5
[M]- 196.95941 147.5
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

patents stripe