CID 57642801

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

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=CN=C2C(=C1I)C=NN2
InChI
InChI=1S/C6H4IN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
InChIKey
PEHWWSPOLYSDBW-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

244.94499 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95227 129.5
[M+Na]+ 267.93421 136.0
[M+NH4]+ 262.97881 133.8
[M+K]+ 283.90815 134.8
[M-H]- 243.93771 124.1
[M+Na-2H]- 265.91966 124.6
[M]+ 244.94444 127.8
[M]- 244.94554 127.8
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