CID 56932112

4-chloro-3-iodo-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C5H2ClIN4
SMILES
C1=NC2=NNC(=C2C(=N1)Cl)I
InChI
InChI=1S/C5H2ClIN4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChIKey
IATZWLQPWGDNDQ-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

279.90128 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.90856 126.4
[M+Na]+ 302.89050 132.8
[M-H]- 278.89400 118.5
[M+NH4]+ 297.93510 140.0
[M+K]+ 318.86444 133.6
[M+H-H2O]+ 262.89854 115.8
[M+HCOO]- 324.89948 138.2
[M+CH3COO]- 338.91513 136.2
[M+Na-2H]- 300.87595 124.4
[M]+ 279.90073 126.2
[M]- 279.90183 126.2
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