CID 255719

5-bromo-2,4-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
COC1=NC(=NC=C1Br)OC
InChI
InChI=1S/C6H7BrN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChIKey
QEZIMQMMEGPYTR-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

217.96909 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.97637 131.8
[M+Na]+ 240.95831 145.3
[M-H]- 216.96181 136.3
[M+NH4]+ 236.00291 151.9
[M+K]+ 256.93225 135.8
[M+H-H2O]+ 200.96635 131.2
[M+HCOO]- 262.96729 152.9
[M+CH3COO]- 276.98294 184.4
[M+Na-2H]- 238.94376 141.5
[M]+ 217.96854 153.8
[M]- 217.96964 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