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

20
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 130.7
[M+Na]+ 242.92951 145.4
[M-H]- 218.93301 135.0
[M+NH4]+ 237.97411 151.8
[M+K]+ 258.90345 133.1
[M+H-H2O]+ 202.93755 131.1
[M+HCOO]- 264.93849 147.0
[M+CH3COO]- 278.95414 184.3
[M+Na-2H]- 240.91496 140.2
[M]+ 219.93974 151.7
[M]- 219.94084 151.7
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