CID 137945731

2-(4-chloropyridin-2-yl)pyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02502 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.