CID 59943664

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

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CCC1=NC(=C(C(=N1)Cl)C)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-3-5-10-6(8)4(2)7(9)11-5/h3H2,1-2H3
InChIKey
LNUGIQDTXNTOMO-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-ethyl-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 133.6
[M+Na]+ 212.99567 145.5
[M-H]- 188.99917 134.3
[M+NH4]+ 208.04027 152.5
[M+K]+ 228.96961 140.7
[M+H-H2O]+ 173.00371 128.1
[M+HCOO]- 235.00465 146.2
[M+CH3COO]- 249.02030 182.8
[M+Na-2H]- 210.98112 139.5
[M]+ 190.00590 137.4
[M]- 190.00700 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