CID 66614055

5-fluoro-3-iodo-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C6H3FIN3
SMILES
C1=C(C=NC2=NNC(=C21)I)F
InChI
InChI=1S/C6H3FIN3/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H,9,10,11)
InChIKey
HSJHOTUQSLQXLL-UHFFFAOYSA-N
Compound name
5-fluoro-3-iodo-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

262.93558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.94286 125.6
[M+Na]+ 285.92480 131.0
[M-H]- 261.92830 117.9
[M+NH4]+ 280.96940 140.4
[M+K]+ 301.89874 132.8
[M+H-H2O]+ 245.93284 114.5
[M+HCOO]- 307.93378 141.9
[M+CH3COO]- 321.94943 135.6
[M+Na-2H]- 283.91025 122.9
[M]+ 262.93503 122.7
[M]- 262.93613 122.7
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