CID 24704536

2-phenoxypyridine-4-carbonitrile

Structural Information

Molecular Formula
C12H8N2O
SMILES
C1=CC=C(C=C1)OC2=NC=CC(=C2)C#N
InChI
InChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H
InChIKey
CRIVCEBEXJZQRH-UHFFFAOYSA-N
Compound name
2-phenoxypyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.06366 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.070936 142.8
[M+Na]+ 219.052878 153.3
[M-H]- 195.056384 146.7
[M+NH4]+ 214.097483 158.4
[M+K]+ 235.026818 148.3
[M+H-H2O]+ 179.060920 128.3
[M+HCOO]- 241.061861 162.8
[M+CH3COO]- 255.077511 154.4
[M+Na-2H]- 217.038326 150.3
[M]+ 196.06311142 138.0
[M]- 196.06420858 138.0
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