CID 165942593

En300-33050984

Structural Information

Molecular Formula
C7H4BrCl2N3
SMILES
CN1C=C(C2=C1C(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C7H4BrCl2N3/c1-13-2-3(8)4-5(13)6(9)12-7(10)11-4/h2H,1H3
InChIKey
GQGMVHALUGVENF-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloro-5-methylpyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.89658 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.90386 141.9
[M+Na]+ 301.88580 160.4
[M-H]- 277.88930 145.9
[M+NH4]+ 296.93040 162.9
[M+K]+ 317.85974 146.5
[M+H-H2O]+ 261.89384 142.1
[M+HCOO]- 323.89478 153.4
[M+CH3COO]- 337.91043 157.8
[M+Na-2H]- 299.87125 149.7
[M]+ 278.89603 165.6
[M]- 278.89713 165.6
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.