CID 4715014

2-(4-aminophenoxy)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

210.07932 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe