CID 613806

4-(4-formylphenoxy)benzonitrile

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H9NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,10H
InChIKey
PYODQZCRZBCXPW-UHFFFAOYSA-N
Compound name
4-(4-formylphenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

93
Patents

223.06332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 151.3
[M+Na]+ 246.05254 162.4
[M-H]- 222.05604 157.1
[M+NH4]+ 241.09714 167.5
[M+K]+ 262.02648 156.9
[M+H-H2O]+ 206.06058 137.7
[M+HCOO]- 268.06152 172.4
[M+CH3COO]- 282.07717 200.2
[M+Na-2H]- 244.03799 157.0
[M]+ 223.06277 147.8
[M]- 223.06387 147.8
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