CID 23130454

3-(3-fluorophenoxy)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

213.05899 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06627 145.7
[M+Na]+ 236.04821 157.0
[M-H]- 212.05171 150.2
[M+NH4]+ 231.09281 162.3
[M+K]+ 252.02215 151.4
[M+H-H2O]+ 196.05625 131.5
[M+HCOO]- 258.05719 165.8
[M+CH3COO]- 272.07284 198.8
[M+Na-2H]- 234.03366 151.5
[M]+ 213.05844 140.3
[M]- 213.05954 140.3
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