CID 138987442

4-bromo-6-(pyrimidin-2-yl)pyrimidine

Structural Information

Molecular Formula
C8H5BrN4
SMILES
C1=CN=C(N=C1)C2=CC(=NC=N2)Br
InChI
InChI=1S/C8H5BrN4/c9-7-4-6(12-5-13-7)8-10-2-1-3-11-8/h1-5H
InChIKey
YICUJMVMNDYHLR-UHFFFAOYSA-N
Compound name
4-bromo-6-pyrimidin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97704 136.7
[M+Na]+ 258.95898 149.9
[M-H]- 234.96248 141.2
[M+NH4]+ 254.00358 152.9
[M+K]+ 274.93292 138.3
[M+H-H2O]+ 218.96702 134.7
[M+HCOO]- 280.96796 155.6
[M+CH3COO]- 294.98361 151.3
[M+Na-2H]- 256.94443 148.8
[M]+ 235.96921 155.0
[M]- 235.97031 155.0
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.