CID 21252672

5-bromo-4-chloro-6-ethylpyrimidine

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
CCC1=C(C(=NC=N1)Cl)Br
InChI
InChI=1S/C6H6BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKey
UFRPTUDBOLHMNH-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-ethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 136.1
[M+Na]+ 242.92951 141.9
[M+NH4]+ 237.97411 141.5
[M+K]+ 258.90345 140.7
[M-H]- 218.93301 136.4
[M+Na-2H]- 240.91496 140.8
[M]+ 219.93974 136.2
[M]- 219.94084 136.2
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