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

75
Patents

210.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 150.4
[M+Na]+ 233.068538 160.8
[M-H]- 209.072044 155.7
[M+NH4]+ 228.113143 166.7
[M+K]+ 249.042478 155.4
[M+H-H2O]+ 193.076580 136.9
[M+HCOO]- 255.077521 171.7
[M+CH3COO]- 269.093171 200.2
[M+Na-2H]- 231.053986 155.8
[M]+ 210.07877142 144.4
[M]- 210.07986858 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

literature stripe

Patent stripe

patents stripe