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]+ 219.04503 142.0
[M+Na]+ 241.02697 153.0
[M-H]- 217.03047 142.6
[M+NH4]+ 236.07157 159.9
[M+K]+ 257.00091 148.1
[M+H-H2O]+ 201.03501 136.4
[M+HCOO]- 263.03595 153.1
[M+CH3COO]- 277.05160 189.5
[M+Na-2H]- 239.01242 145.8
[M]+ 218.03720 146.1
[M]- 218.03830 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.