CID 43137984

4-(pyridin-3-yloxy)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

196.06366 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe