CID 23391148

F2odft

Structural Information

Molecular Formula
C20H15F3O
SMILES
CCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)F)F
InChI
InChI=1S/C20H15F3O/c1-2-24-20-10-6-15(12-19(20)23)17-9-5-14(11-18(17)22)13-3-7-16(21)8-4-13/h3-12H,2H2,1H3
InChIKey
KMVSSBRAUIGTNL-UHFFFAOYSA-N
Compound name
1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-fluorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.1075 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11478 174.7
[M+Na]+ 351.09672 184.8
[M-H]- 327.10022 181.1
[M+NH4]+ 346.14132 188.8
[M+K]+ 367.07066 178.0
[M+H-H2O]+ 311.10476 162.9
[M+HCOO]- 373.10570 195.1
[M+CH3COO]- 387.12135 211.7
[M+Na-2H]- 349.08217 176.1
[M]+ 328.10695 173.2
[M]- 328.10805 173.2
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