CID 79439122

4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C14H11Cl3N2
SMILES
CC1CC1C2=NC(=C(C(=N2)Cl)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C14H11Cl3N2/c1-7-6-9(7)14-18-12(16)11(13(17)19-14)8-4-2-3-5-10(8)15/h2-5,7,9H,6H2,1H3
InChIKey
CPKBCIWNGQZPGT-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.99878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00606 162.4
[M+Na]+ 334.98800 174.8
[M-H]- 310.99150 167.5
[M+NH4]+ 330.03260 171.5
[M+K]+ 350.96194 167.1
[M+H-H2O]+ 294.99604 154.1
[M+HCOO]- 356.99698 169.5
[M+CH3COO]- 371.01263 172.9
[M+Na-2H]- 332.97345 164.4
[M]+ 311.99823 167.6
[M]- 311.99933 167.6
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.