CID 21912425

4,6-dichloro-5-ethyl-2-methylpyrimidine

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CCC1=C(N=C(N=C1Cl)C)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-3-5-6(8)10-4(2)11-7(5)9/h3H2,1-2H3
InChIKey
HFLNGAJWQZIWRJ-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-ethyl-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.00645 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01373 135.0
[M+Na]+ 212.99567 151.2
[M+NH4]+ 208.04027 144.1
[M+K]+ 228.96961 143.1
[M-H]- 188.99917 136.7
[M+Na-2H]- 210.98112 142.7
[M]+ 190.00590 138.5
[M]- 190.00700 138.5
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