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

17
Patents

196.06366 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07094 142.8
[M+Na]+ 219.05288 153.3
[M-H]- 195.05638 146.7
[M+NH4]+ 214.09748 158.4
[M+K]+ 235.02682 148.3
[M+H-H2O]+ 179.06092 128.3
[M+HCOO]- 241.06186 162.8
[M+CH3COO]- 255.07751 154.4
[M+Na-2H]- 217.03833 150.3
[M]+ 196.06311 138.0
[M]- 196.06421 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