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

38
Patents

219.94029 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94757 130.3
[M+Na]+ 242.92951 145.9
[M-H]- 218.93301 134.9
[M+NH4]+ 237.97411 151.6
[M+K]+ 258.90345 133.5
[M+H-H2O]+ 202.93755 130.9
[M+HCOO]- 264.93849 146.5
[M+CH3COO]- 278.95414 185.3
[M+Na-2H]- 240.91496 139.1
[M]+ 219.93974 151.6
[M]- 219.94084 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

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