CID 167619

4-(4-aminophenoxy)benzonitrile

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H10N2O/c14-9-10-1-5-12(6-2-10)16-13-7-3-11(15)4-8-13/h1-8H,15H2
InChIKey
YDNICCZCAISDAG-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

76
Patents

210.07932 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe