CID 86675691

8-bromo-4-chloropyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H3BrClN3
SMILES
C1=C2C(=C(C=N1)Br)N=CN=C2Cl
InChI
InChI=1S/C7H3BrClN3/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H
InChIKey
ALCXAADGQYOYGK-UHFFFAOYSA-N
Compound name
8-bromo-4-chloropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.91989 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.927166 134.7
[M+Na]+ 265.909108 150.1
[M-H]- 241.912614 138.4
[M+NH4]+ 260.953713 154.3
[M+K]+ 281.883048 137.3
[M+H-H2O]+ 225.917150 134.3
[M+HCOO]- 287.918091 149.2
[M+CH3COO]- 301.933741 150.1
[M+Na-2H]- 263.894556 146.6
[M]+ 242.91934142 155.4
[M]- 242.92043858 155.4
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