CID 57592517

4-(5-bromofuran-2-yl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C8H3BrCl2N2O
SMILES
C1=C(OC(=C1)Br)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H3BrCl2N2O/c9-6-2-1-5(14-6)4-3-7(10)13-8(11)12-4/h1-3H
InChIKey
LVBWONGXGFSCEQ-UHFFFAOYSA-N
Compound name
4-(5-bromofuran-2-yl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

291.88058 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.887856 147.0
[M+Na]+ 314.869798 163.1
[M-H]- 290.873304 154.4
[M+NH4]+ 309.914403 165.9
[M+K]+ 330.843738 150.7
[M+H-H2O]+ 274.877840 146.9
[M+HCOO]- 336.878781 158.8
[M+CH3COO]- 350.894431 162.5
[M+Na-2H]- 312.855246 154.0
[M]+ 291.88003142 169.8
[M]- 291.88112858 169.8
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