CID 14809281

4-chloro-5-iodo-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey
CBWBJFJMNBPWAL-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1074
Patents

278.906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.91328 133.9
[M+Na]+ 301.89522 141.5
[M+NH4]+ 296.93982 138.4
[M+K]+ 317.86916 139.7
[M-H]- 277.89872 128.6
[M+Na-2H]- 299.88067 129.0
[M]+ 278.90545 132.7
[M]- 278.90655 132.7
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