CID 12057465

4,6-dichloro-2-(pyridin-2-yl)pyrimidine

Structural Information

Molecular Formula
C9H5Cl2N3
SMILES
C1=CC=NC(=C1)C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H
InChIKey
NBAPGMJZRHWJAA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-pyridin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

224.98605 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99333 141.3
[M+Na]+ 247.97527 152.8
[M-H]- 223.97877 143.2
[M+NH4]+ 243.01987 156.6
[M+K]+ 263.94921 146.7
[M+H-H2O]+ 207.98331 132.9
[M+HCOO]- 269.98425 153.1
[M+CH3COO]- 283.99990 153.8
[M+Na-2H]- 245.96072 149.4
[M]+ 224.98550 143.6
[M]- 224.98660 143.6
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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