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

22
Patents

291.88058 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88786 147.0
[M+Na]+ 314.86980 163.1
[M-H]- 290.87330 154.4
[M+NH4]+ 309.91440 165.9
[M+K]+ 330.84374 150.7
[M+H-H2O]+ 274.87784 146.9
[M+HCOO]- 336.87878 158.8
[M+CH3COO]- 350.89443 162.5
[M+Na-2H]- 312.85525 154.0
[M]+ 291.88003 169.8
[M]- 291.88113 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