CID 23391196

2oflt

Structural Information

Molecular Formula
C20H16ClFO
SMILES
CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C20H16ClFO/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3
InChIKey
ARDXUTXAIXHSSG-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.08737 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09465 174.5
[M+Na]+ 349.07659 184.4
[M-H]- 325.08009 183.0
[M+NH4]+ 344.12119 189.5
[M+K]+ 365.05053 176.9
[M+H-H2O]+ 309.08463 165.1
[M+HCOO]- 371.08557 192.6
[M+CH3COO]- 385.10122 186.3
[M+Na-2H]- 347.06204 177.5
[M]+ 326.08682 177.2
[M]- 326.08792 177.2
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