CID 72196346

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

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=C(C2=C(N1)C(=NC=N2)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-6-5-4(10-2-11-6)3(8)1-9-5/h1-2,9H
InChIKey
QHCQXONDPOVIAV-UHFFFAOYSA-N
Compound name
4-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

278.906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.91328 128.2
[M+Na]+ 301.89522 134.1
[M-H]- 277.89872 121.4
[M+NH4]+ 296.93982 143.2
[M+K]+ 317.86916 134.8
[M+H-H2O]+ 261.90326 118.2
[M+HCOO]- 323.90420 140.9
[M+CH3COO]- 337.91985 138.3
[M+Na-2H]- 299.88067 125.6
[M]+ 278.90545 127.8
[M]- 278.90655 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