CID 11361414

6-chloro-2-iodopurine

Structural Information

Molecular Formula
C5H2ClIN4
SMILES
C1=NC2=C(N1)C(=NC(=N2)I)Cl
InChI
InChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey
SZRNPDHDBPGZOA-UHFFFAOYSA-N
Compound name
6-chloro-2-iodo-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

130
Patents

279.90128 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe