CID 11287431

4-bromo-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
COC1=CC(=NC(=N1)OC)Br
InChI
InChI=1S/C6H7BrN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey
BFHOSMVQVHFCSK-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

217.96909 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.976366 131.8
[M+Na]+ 240.958308 145.3
[M-H]- 216.961814 136.3
[M+NH4]+ 236.002913 151.9
[M+K]+ 256.932248 135.8
[M+H-H2O]+ 200.966350 131.2
[M+HCOO]- 262.967291 152.9
[M+CH3COO]- 276.982941 184.4
[M+Na-2H]- 238.943756 141.5
[M]+ 217.96854142 153.8
[M]- 217.96963858 153.8
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