CID 45789732

4-chloro-6-iodo-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=C(NC2=C1C(=NC=N2)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
InChIKey
DXPVKZYVQANEDW-UHFFFAOYSA-N
Compound name
4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

278.906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.913276 128.2
[M+Na]+ 301.895218 134.1
[M-H]- 277.898724 121.4
[M+NH4]+ 296.939823 143.2
[M+K]+ 317.869158 134.8
[M+H-H2O]+ 261.903260 118.2
[M+HCOO]- 323.904201 140.9
[M+CH3COO]- 337.919851 138.3
[M+Na-2H]- 299.880666 125.6
[M]+ 278.90545142 127.8
[M]- 278.90654858 127.8
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