CID 12490576

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

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
CC1=C(C(=NC(=N1)C)Cl)Br
InChI
InChI=1S/C6H6BrClN2/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3
InChIKey
BZQXOFCIHJDLCR-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

219.94029 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.947566 130.3
[M+Na]+ 242.929508 145.9
[M-H]- 218.933014 134.9
[M+NH4]+ 237.974113 151.6
[M+K]+ 258.903448 133.5
[M+H-H2O]+ 202.937550 130.9
[M+HCOO]- 264.938491 146.5
[M+CH3COO]- 278.954141 185.3
[M+Na-2H]- 240.914956 139.1
[M]+ 219.93974142 151.6
[M]- 219.94083858 151.6
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