CID 54595783

4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine

Structural Information

Molecular Formula
C9H12Cl2N2
SMILES
CC1=C(N=C(N=C1Cl)CC(C)C)Cl
InChI
InChI=1S/C9H12Cl2N2/c1-5(2)4-7-12-8(10)6(3)9(11)13-7/h5H,4H2,1-3H3
InChIKey
HPHVLUOXUHLPHZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03775 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.045026 142.0
[M+Na]+ 241.026968 153.0
[M-H]- 217.030474 142.6
[M+NH4]+ 236.071573 159.9
[M+K]+ 257.000908 148.1
[M+H-H2O]+ 201.035010 136.4
[M+HCOO]- 263.035951 153.1
[M+CH3COO]- 277.051601 189.5
[M+Na-2H]- 239.012416 145.8
[M]+ 218.03720142 146.1
[M]- 218.03829858 146.1
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.