CID 71685902

4-chloro-2-(1-chloroethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CC1=CC(=NC(=N1)C(C)Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-4-3-6(9)11-7(10-4)5(2)8/h3,5H,1-2H3
InChIKey
HSNHVODQBKSRJD-UHFFFAOYSA-N
Compound name
4-chloro-2-(1-chloroethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.00645 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.013726 133.2
[M+Na]+ 212.995668 144.0
[M-H]- 188.999174 133.7
[M+NH4]+ 208.040273 151.8
[M+K]+ 228.969608 139.6
[M+H-H2O]+ 173.003710 127.6
[M+HCOO]- 235.004651 144.9
[M+CH3COO]- 249.020301 182.5
[M+Na-2H]- 210.981116 138.8
[M]+ 190.00590142 136.1
[M]- 190.00699858 136.1
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

No patent data available for this compound.