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

12
Patents

190.00645 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.013726 133.6
[M+Na]+ 212.995668 145.5
[M-H]- 188.999174 134.3
[M+NH4]+ 208.040273 152.5
[M+K]+ 228.969608 140.7
[M+H-H2O]+ 173.003710 128.1
[M+HCOO]- 235.004651 146.2
[M+CH3COO]- 249.020301 182.8
[M+Na-2H]- 210.981116 139.5
[M]+ 190.00590142 137.4
[M]- 190.00699858 137.4
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