CID 53488052

2,4,6-trichloropyrido[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H2Cl3N3
SMILES
C1=CC(=NC2=C1N=C(N=C2Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H
InChIKey
KPUMPJIRBVOFGW-UHFFFAOYSA-N
Compound name
2,4,6-trichloropyrido[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

232.93143 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.938706 138.9
[M+Na]+ 255.920648 151.8
[M-H]- 231.924154 137.7
[M+NH4]+ 250.965253 155.3
[M+K]+ 271.894588 145.9
[M+H-H2O]+ 215.928690 132.2
[M+HCOO]- 277.929631 144.3
[M+CH3COO]- 291.945281 150.9
[M+Na-2H]- 253.906096 146.6
[M]+ 232.93088142 141.9
[M]- 232.93197858 141.9
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