CID 1490284

4-(4-fluorophenoxy)benzonitrile

Structural Information

Molecular Formula
C13H8FNO
SMILES
C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)F
InChI
InChI=1S/C13H8FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChIKey
NXVPHQNXBDDVCT-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

213.05899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06627 148.7
[M+Na]+ 236.04821 163.1
[M+NH4]+ 231.09281 154.0
[M+K]+ 252.02215 151.6
[M-H]- 212.05171 144.7
[M+Na-2H]- 234.03366 155.3
[M]+ 213.05844 148.9
[M]- 213.05954 148.9
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

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