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

26
Patents

219.94029 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.947566 130.7
[M+Na]+ 242.929508 145.4
[M-H]- 218.933014 135.0
[M+NH4]+ 237.974113 151.8
[M+K]+ 258.903448 133.1
[M+H-H2O]+ 202.937550 131.1
[M+HCOO]- 264.938491 147.0
[M+CH3COO]- 278.954141 184.3
[M+Na-2H]- 240.914956 140.2
[M]+ 219.93974142 151.7
[M]- 219.94083858 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