CID 85610858

4''-ethyl-2',4-difluoro-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C20H16F2
SMILES
CCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C20H16F2/c1-2-14-3-5-15(6-4-14)17-9-12-19(20(22)13-17)16-7-10-18(21)11-8-16/h3-13H,2H2,1H3
InChIKey
IKWCDRKGFNPIKI-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)-2-fluoro-1-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.122 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12928 167.4
[M+Na]+ 317.11122 176.7
[M-H]- 293.11472 174.9
[M+NH4]+ 312.15582 182.8
[M+K]+ 333.08516 169.7
[M+H-H2O]+ 277.11926 156.8
[M+HCOO]- 339.12020 188.8
[M+CH3COO]- 353.13585 179.2
[M+Na-2H]- 315.09667 170.4
[M]+ 294.12145 165.2
[M]- 294.12255 165.2
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