CID 135393152

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

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=C(C2=C(NN=C2N=C1)C(=O)O)Cl
InChI
InChI=1S/C7H4ClN3O2/c8-3-1-2-9-6-4(3)5(7(12)13)10-11-6/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
LLYZNGCCYKZHGK-UHFFFAOYSA-N
Compound name
4-chloro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00648 135.4
[M+Na]+ 219.98842 149.2
[M+NH4]+ 215.03302 142.5
[M+K]+ 235.96236 145.8
[M-H]- 195.99192 134.4
[M+Na-2H]- 217.97387 140.8
[M]+ 196.99865 137.1
[M]- 196.99975 137.1
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.