CID 310045

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

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CN=C2C(=C1Cl)C=NN2
InChI
InChI=1S/C6H4ClN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
InChIKey
AKWQSKVILVJWPC-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

263
Patents

153.00937 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016646 125.0
[M+Na]+ 175.998588 137.5
[M-H]- 152.002094 124.7
[M+NH4]+ 171.043193 145.3
[M+K]+ 191.972528 132.5
[M+H-H2O]+ 136.006630 118.2
[M+HCOO]- 198.007571 142.4
[M+CH3COO]- 212.023221 139.1
[M+Na-2H]- 173.984036 134.5
[M]+ 153.00882142 126.6
[M]- 153.00991858 126.6
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

patents stripe