CID 12226195

5-bromo-4-chloro-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H6BrClN2O2
SMILES
COC1=C(C(=NC(=N1)OC)Cl)Br
InChI
InChI=1S/C6H6BrClN2O2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3
InChIKey
XQJBRHJTKOSSEE-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2,6-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

251.93011 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.93739 135.2
[M+Na]+ 274.91933 150.4
[M-H]- 250.92283 139.8
[M+NH4]+ 269.96393 155.1
[M+K]+ 290.89327 139.0
[M+H-H2O]+ 234.92737 135.3
[M+HCOO]- 296.92831 151.8
[M+CH3COO]- 310.94396 189.1
[M+Na-2H]- 272.90478 144.0
[M]+ 251.92956 159.1
[M]- 251.93066 159.1
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