CID 28401834

3-(4-aminophenoxy)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.07932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 150.4
[M+Na]+ 233.06854 160.8
[M-H]- 209.07204 155.7
[M+NH4]+ 228.11314 166.7
[M+K]+ 249.04248 155.4
[M+H-H2O]+ 193.07658 136.9
[M+HCOO]- 255.07752 171.7
[M+CH3COO]- 269.09317 200.2
[M+Na-2H]- 231.05399 155.8
[M]+ 210.07877 144.4
[M]- 210.07987 144.4
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