CID 4737127

4-chloro-1-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C11H6ClFN4
SMILES
C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)Cl)F
InChI
InChI=1S/C11H6ClFN4/c12-10-9-5-16-17(11(9)15-6-14-10)8-3-1-7(13)2-4-8/h1-6H
InChIKey
GBKPQRDTVISISD-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.0265 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03378 148.6
[M+Na]+ 271.01572 165.8
[M+NH4]+ 266.06032 156.7
[M+K]+ 286.98966 159.3
[M-H]- 247.01922 150.4
[M+Na-2H]- 269.00117 158.1
[M]+ 248.02595 151.9
[M]- 248.02705 151.9
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