CID 79439669

4,6-dichloro-5-(2-chlorophenyl)-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C13H9Cl3N2
SMILES
C1CC1C2=NC(=C(C(=N2)Cl)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C13H9Cl3N2/c14-9-4-2-1-3-8(9)10-11(15)17-13(7-5-6-7)18-12(10)16/h1-4,7H,5-6H2
InChIKey
UFSVDIIPJAQIFX-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-(2-chlorophenyl)-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.98312 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99040 158.1
[M+Na]+ 320.97234 170.1
[M-H]- 296.97584 163.1
[M+NH4]+ 316.01694 167.5
[M+K]+ 336.94628 162.7
[M+H-H2O]+ 280.98038 149.8
[M+HCOO]- 342.98132 165.5
[M+CH3COO]- 356.99697 168.7
[M+Na-2H]- 318.95779 161.3
[M]+ 297.98257 162.6
[M]- 297.98367 162.6
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.