CID 45787243

2,4-dichloro-6-(6'-bromo-2'-pyridyl)pyrimidine

Structural Information

Molecular Formula
C9H4BrCl2N3
SMILES
C1=CC(=NC(=C1)Br)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H4BrCl2N3/c10-7-3-1-2-5(13-7)6-4-8(11)15-9(12)14-6/h1-4H
InChIKey
WJPYURTVKHODHJ-UHFFFAOYSA-N
Compound name
4-(6-bromo-2-pyridinyl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.89658 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.903856 145.1
[M+Na]+ 325.885798 160.7
[M-H]- 301.889304 150.2
[M+NH4]+ 320.930403 161.8
[M+K]+ 341.859738 146.4
[M+H-H2O]+ 285.893840 144.0
[M+HCOO]- 347.894781 155.4
[M+CH3COO]- 361.910431 159.5
[M+Na-2H]- 323.871246 154.0
[M]+ 302.89603142 166.2
[M]- 302.89712858 166.2
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.