CID 11805543

2-chloro-4-(pyridin-3-yl)pyrimidine

Structural Information

Molecular Formula
C9H6ClN3
SMILES
C1=CC(=CN=C1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
InChIKey
MGQROXOMFRGAOY-UHFFFAOYSA-N
Compound name
2-chloro-4-pyridin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

191.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03230 136.2
[M+Na]+ 214.01424 146.7
[M-H]- 190.01774 138.7
[M+NH4]+ 209.05884 152.2
[M+K]+ 229.98818 141.5
[M+H-H2O]+ 174.02228 127.4
[M+HCOO]- 236.02322 153.3
[M+CH3COO]- 250.03887 149.2
[M+Na-2H]- 211.99969 145.9
[M]+ 191.02447 137.2
[M]- 191.02557 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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