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]+ 234.96321 135.0
[M+Na]+ 256.94515 150.1
[M-H]- 232.94865 139.4
[M+NH4]+ 251.98975 155.8
[M+K]+ 272.91909 137.5
[M+H-H2O]+ 216.95319 135.3
[M+HCOO]- 278.95413 150.8
[M+CH3COO]- 292.96978 188.1
[M+Na-2H]- 254.93060 143.2
[M]+ 233.95538 156.6
[M]- 233.95648 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.