CID 87758

2-cyano-4-phenylpyridine

Structural Information

Molecular Formula
C12H8N2
SMILES
C1=CC=C(C=C1)C2=CC(=NC=C2)C#N
InChI
InChI=1S/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H
InChIKey
TXLINXBIWJYFNR-UHFFFAOYSA-N
Compound name
4-phenylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2539
Patents

180.06874 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.076016 140.2
[M+Na]+ 203.057958 150.8
[M-H]- 179.061464 144.2
[M+NH4]+ 198.102563 156.5
[M+K]+ 219.031898 145.3
[M+H-H2O]+ 163.066000 125.9
[M+HCOO]- 225.066941 160.0
[M+CH3COO]- 239.082591 152.0
[M+Na-2H]- 201.043406 147.7
[M]+ 180.06819142 134.1
[M]- 180.06928858 134.1
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