CID 2761025

2-chloro-5-(4-chlorophenyl)pyrimidine

Structural Information

Molecular Formula
C10H6Cl2N2
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2/c11-9-3-1-7(2-4-9)8-5-13-10(12)14-6-8/h1-6H
InChIKey
BQEPTIIJSKEJMX-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chlorophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

223.9908 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99808 143.6
[M+Na]+ 246.98002 162.0
[M+NH4]+ 242.02462 153.5
[M+K]+ 262.95396 152.4
[M-H]- 222.98352 148.1
[M+Na-2H]- 244.96547 154.9
[M]+ 223.99025 148.4
[M]- 223.99135 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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