CID 23391153

4-ethyl-4''-fluoro-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C20H17F
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H17F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h3-14H,2H2,1H3
InChIKey
NXRQPLXZEQBAEI-UHFFFAOYSA-N
Compound name
1-ethyl-4-[4-(4-fluorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.13144 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13872 164.1
[M+Na]+ 299.12066 172.4
[M-H]- 275.12416 172.6
[M+NH4]+ 294.16526 180.0
[M+K]+ 315.09460 165.9
[M+H-H2O]+ 259.12870 154.4
[M+HCOO]- 321.12964 186.6
[M+CH3COO]- 335.14529 176.1
[M+Na-2H]- 297.10611 168.5
[M]+ 276.13089 162.6
[M]- 276.13199 162.6
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