CID 92133838

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

Structural Information

Molecular Formula
C5H2ClIN4
SMILES
C1=NC(=NC2=C(NN=C21)I)Cl
InChI
InChI=1S/C5H2ClIN4/c6-5-8-1-2-3(9-5)4(7)11-10-2/h1H,(H,10,11)
InChIKey
SUWWANYXJYREEJ-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-2H-pyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

279.90128 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.908556 126.4
[M+Na]+ 302.890498 132.8
[M-H]- 278.894004 118.5
[M+NH4]+ 297.935103 140.0
[M+K]+ 318.864438 133.6
[M+H-H2O]+ 262.898540 115.8
[M+HCOO]- 324.899481 138.2
[M+CH3COO]- 338.915131 136.2
[M+Na-2H]- 300.875946 124.4
[M]+ 279.90073142 126.2
[M]- 279.90182858 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