CID 1393040

4'-fluoro-[1,1'-biphenyl]-4-carbonitrile

Structural Information

Molecular Formula
C13H8FN
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKey
URIGWZMDTRKUSJ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

197.06407 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07135 142.9
[M+Na]+ 220.05329 154.3
[M-H]- 196.05679 147.5
[M+NH4]+ 215.09789 160.2
[M+K]+ 236.02723 148.1
[M+H-H2O]+ 180.06133 129.0
[M+HCOO]- 242.06227 162.9
[M+CH3COO]- 256.07792 155.0
[M+Na-2H]- 218.03874 148.8
[M]+ 197.06352 136.2
[M]- 197.06462 136.2
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