CID 82622088

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

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=C(C2=C(NN=C2)N=C1Br)C(=O)O
InChI
InChI=1S/C7H4BrN3O2/c8-5-1-3(7(12)13)4-2-9-11-6(4)10-5/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
CAJCITHGSUERSS-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.94868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 145.1
[M+Na]+ 263.93790 148.3
[M+NH4]+ 258.98250 148.2
[M+K]+ 279.91184 151.2
[M-H]- 239.94140 142.7
[M+Na-2H]- 261.92335 146.8
[M]+ 240.94813 143.5
[M]- 240.94923 143.5
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