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 149.2
[M+Na]+ 271.01572 163.1
[M-H]- 247.01922 151.1
[M+NH4]+ 266.06032 164.9
[M+K]+ 286.98966 156.1
[M+H-H2O]+ 231.02376 138.7
[M+HCOO]- 293.02470 165.2
[M+CH3COO]- 307.04035 162.0
[M+Na-2H]- 269.00117 156.5
[M]+ 248.02595 152.3
[M]- 248.02705 152.3
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