CID 66570709

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

Structural Information

Molecular Formula
C7H5ClIN3
SMILES
CC1=NC2=C(C(=CN2)I)C(=N1)Cl
InChI
InChI=1S/C7H5ClIN3/c1-3-11-6(8)5-4(9)2-10-7(5)12-3/h2H,1H3,(H,10,11,12)
InChIKey
PLKRSMDMXVKCAM-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

292.92166 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.92894 132.7
[M+Na]+ 315.91088 139.1
[M-H]- 291.91438 126.2
[M+NH4]+ 310.95548 147.5
[M+K]+ 331.88482 139.6
[M+H-H2O]+ 275.91892 122.9
[M+HCOO]- 337.91986 145.1
[M+CH3COO]- 351.93551 142.7
[M+Na-2H]- 313.89633 128.9
[M]+ 292.92111 133.1
[M]- 292.92221 133.1
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.