CID 24902088

4-chloro-6-(3-chlorophenyl)pyrimidine

Structural Information

Molecular Formula
C10H6Cl2N2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C10H6Cl2N2/c11-8-3-1-2-7(4-8)9-5-10(12)14-6-13-9/h1-6H
InChIKey
WDXFLLJZNGGUTP-UHFFFAOYSA-N
Compound name
4-chloro-6-(3-chlorophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

223.9908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99808 141.7
[M+Na]+ 246.98002 152.9
[M-H]- 222.98352 145.0
[M+NH4]+ 242.02462 158.5
[M+K]+ 262.95396 146.6
[M+H-H2O]+ 206.98806 134.2
[M+HCOO]- 268.98900 154.6
[M+CH3COO]- 283.00465 154.5
[M+Na-2H]- 244.96547 149.2
[M]+ 223.99025 144.0
[M]- 223.99135 144.0
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

patents stripe