CID 56846743

1350653-26-7

Structural Information

Molecular Formula
C14H8F2N4
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C#N)F
InChI
InChI=1S/C14H8F2N4/c15-10-5-11-13(6-17)19-20(14(11)18-7-10)8-9-3-1-2-4-12(9)16/h1-5,7H,8H2
InChIKey
GPEUANAWZCBBHU-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

270.07172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07900 155.1
[M+Na]+ 293.06094 168.9
[M-H]- 269.06444 155.0
[M+NH4]+ 288.10554 168.4
[M+K]+ 309.03488 160.8
[M+H-H2O]+ 253.06898 137.2
[M+HCOO]- 315.06992 171.3
[M+CH3COO]- 329.08557 165.4
[M+Na-2H]- 291.04639 159.4
[M]+ 270.07117 150.3
[M]- 270.07227 150.3
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