CID 138987442

2166764-11-8

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]+ 236.977036 136.7
[M+Na]+ 258.958978 149.9
[M-H]- 234.962484 141.2
[M+NH4]+ 254.003583 152.9
[M+K]+ 274.932918 138.3
[M+H-H2O]+ 218.967020 134.7
[M+HCOO]- 280.967961 155.6
[M+CH3COO]- 294.983611 151.3
[M+Na-2H]- 256.944426 148.8
[M]+ 235.96921142 155.0
[M]- 235.97030858 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.