CID 4570145

4-(3-aminophenoxy)benzonitrile

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)N
InChI
InChI=1S/C13H10N2O/c14-9-10-4-6-12(7-5-10)16-13-3-1-2-11(15)8-13/h1-8H,15H2
InChIKey
VYJJWRGHMIEDQL-UHFFFAOYSA-N
Compound name
4-(3-aminophenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.07932 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 150.2
[M+Na]+ 233.06854 163.9
[M+NH4]+ 228.11314 155.7
[M+K]+ 249.04248 153.1
[M-H]- 209.07204 147.9
[M+Na-2H]- 231.05399 156.8
[M]+ 210.07877 150.7
[M]- 210.07987 150.7
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