CID 12576518

39065-54-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

180.06874 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe