CID 66292312

5-bromo-4-chloro-2-ethyl-6-methylpyrimidine

Structural Information

Molecular Formula
C7H8BrClN2
SMILES
CCC1=NC(=C(C(=N1)Cl)Br)C
InChI
InChI=1S/C7H8BrClN2/c1-3-5-10-4(2)6(8)7(9)11-5/h3H2,1-2H3
InChIKey
FITJGRLJKHPNFG-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-ethyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.963206 135.0
[M+Na]+ 256.945148 150.1
[M-H]- 232.948654 139.4
[M+NH4]+ 251.989753 155.8
[M+K]+ 272.919088 137.5
[M+H-H2O]+ 216.953190 135.3
[M+HCOO]- 278.954131 150.8
[M+CH3COO]- 292.969781 188.1
[M+Na-2H]- 254.930596 143.2
[M]+ 233.95538142 156.6
[M]- 233.95647858 156.6
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

No patent data available for this compound.