CID 57990440

5-bromo-2,4-dichloro-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H2BrCl2N3
SMILES
C1=C(C2=C(N1)N=C(N=C2Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl2N3/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H,10,11,12)
InChIKey
RDRKIEROMGAMCK-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

264.88092 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88820 137.7
[M+Na]+ 287.87014 155.4
[M-H]- 263.87364 140.4
[M+NH4]+ 282.91474 158.3
[M+K]+ 303.84408 140.9
[M+H-H2O]+ 247.87818 138.2
[M+HCOO]- 309.87912 148.2
[M+CH3COO]- 323.89477 153.1
[M+Na-2H]- 285.85559 146.3
[M]+ 264.88037 159.1
[M]- 264.88147 159.1
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

patents stripe