CID 57415891

1-(2-fluorobenzyl)-3-iodo-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C13H9FIN3
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)I)F
InChI
InChI=1S/C13H9FIN3/c14-11-6-2-1-4-9(11)8-18-13-10(12(15)17-18)5-3-7-16-13/h1-7H,8H2
InChIKey
GQXVRHDLHZVBCE-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

352.9825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.98978 150.4
[M+Na]+ 375.97172 155.4
[M-H]- 351.97522 146.5
[M+NH4]+ 371.01632 162.1
[M+K]+ 391.94566 155.4
[M+H-H2O]+ 335.97976 137.2
[M+HCOO]- 397.98070 167.0
[M+CH3COO]- 411.99635 159.3
[M+Na-2H]- 373.95717 146.2
[M]+ 352.98195 149.3
[M]- 352.98305 149.3
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