CID 14146

Pyridinitril

Structural Information

Molecular Formula
C13H5Cl2N3
SMILES
C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)Cl)Cl)C#N
InChI
InChI=1S/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H
InChIKey
OVZITGHGWBXFEA-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5360
Patents

272.98605 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.993326 165.0
[M+Na]+ 295.975268 177.9
[M-H]- 271.978774 168.2
[M+NH4]+ 291.019873 175.7
[M+K]+ 311.949208 169.9
[M+H-H2O]+ 255.983310 149.8
[M+HCOO]- 317.984251 171.0
[M+CH3COO]- 331.999901 172.1
[M+Na-2H]- 293.960716 166.3
[M]+ 272.98550142 159.0
[M]- 272.98659858 159.0
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

patents stripe