CID 56773433

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

Structural Information

Molecular Formula
C6H2BrCl2N3
SMILES
C1=C(NC2=C1N=C(N=C2Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl2N3/c7-3-1-2-4(11-3)5(8)12-6(9)10-2/h1,11H
InChIKey
REUJEODIDJCRTC-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.88092 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.888196 137.7
[M+Na]+ 287.870138 155.4
[M-H]- 263.873644 140.4
[M+NH4]+ 282.914743 158.3
[M+K]+ 303.844078 140.9
[M+H-H2O]+ 247.878180 138.2
[M+HCOO]- 309.879121 148.2
[M+CH3COO]- 323.894771 153.1
[M+Na-2H]- 285.855586 146.3
[M]+ 264.88037142 159.1
[M]- 264.88146858 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.

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No patent data available for this compound.