CID 63867980

5-bromo-2-(3-methoxyphenoxy)pyrimidine

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
COC1=CC(=CC=C1)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C11H9BrN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3
InChIKey
SJAUCDXSPIMNFX-UHFFFAOYSA-N
Compound name
5-bromo-2-(3-methoxyphenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.98474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.992016 149.2
[M+Na]+ 302.973958 161.5
[M-H]- 278.977464 156.2
[M+NH4]+ 298.018563 166.3
[M+K]+ 318.947898 150.8
[M+H-H2O]+ 262.982000 147.3
[M+HCOO]- 324.982941 169.9
[M+CH3COO]- 338.998591 194.4
[M+Na-2H]- 300.959406 158.5
[M]+ 279.98419142 170.4
[M]- 279.98528858 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe