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

20
Patents

224.98605 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.993326 141.3
[M+Na]+ 247.975268 152.8
[M-H]- 223.978774 143.2
[M+NH4]+ 243.019873 156.6
[M+K]+ 263.949208 146.7
[M+H-H2O]+ 207.983310 132.9
[M+HCOO]- 269.984251 153.1
[M+CH3COO]- 283.999901 153.8
[M+Na-2H]- 245.960716 149.4
[M]+ 224.98550142 143.6
[M]- 224.98659858 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