CID 25231165

1131992-30-7

Structural Information

Molecular Formula
C6H2BrCl2N3
SMILES
C1=C(NC2=C1C(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl2N3/c7-3-1-2-4(8)11-6(9)12-5(2)10-3/h1H,(H,10,11,12)
InChIKey
QFWRTHITCIOTSI-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

264.88092 Da
Monoisotopic Mass

3.6
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.

Patent stripe

patents stripe