CID 122163748

7-chloro-2-iodo-[1,3]thiazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C5HClIN3S
SMILES
C1=NC2=C(C(=N1)Cl)N=C(S2)I
InChI
InChI=1S/C5HClIN3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H
InChIKey
XJNMAUKZNDPLRV-UHFFFAOYSA-N
Compound name
7-chloro-2-iodo-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.86243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.86971 128.9
[M+Na]+ 319.85165 136.3
[M-H]- 295.85515 124.2
[M+NH4]+ 314.89625 144.8
[M+K]+ 335.82559 137.7
[M+H-H2O]+ 279.85969 119.8
[M+HCOO]- 341.86063 138.8
[M+CH3COO]- 355.87628 139.8
[M+Na-2H]- 317.83710 124.1
[M]+ 296.86188 132.2
[M]- 296.86298 132.2
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

No patent data available for this compound.