CID 22618071

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe