CID 19020076

127523-43-7

Structural Information

Molecular Formula
C22H18FN
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C#N)F
InChI
InChI=1S/C22H18FN/c1-2-3-16-4-8-18(9-5-16)20-12-13-21(22(23)14-20)19-10-6-17(15-24)7-11-19/h4-14H,2-3H2,1H3
InChIKey
CCRAFIJEOWNROF-UHFFFAOYSA-N
Compound name
4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

315.14233 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14961 179.3
[M+Na]+ 338.13155 190.2
[M-H]- 314.13505 185.6
[M+NH4]+ 333.17615 192.1
[M+K]+ 354.10549 180.6
[M+H-H2O]+ 298.13959 163.2
[M+HCOO]- 360.14053 197.4
[M+CH3COO]- 374.15618 188.8
[M+Na-2H]- 336.11700 180.9
[M]+ 315.14178 173.4
[M]- 315.14288 173.4
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