CID 132042669

Ec 807-577-5

Structural Information

Molecular Formula
C26H24F4O2
SMILES
CCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C26H24F4O2/c1-2-3-4-16-14-31-26(32-15-16)18-7-5-17(6-8-18)19-9-10-21(22(27)11-19)20-12-23(28)25(30)24(29)13-20/h5-13,16,26H,2-4,14-15H2,1H3
InChIKey
WIOOKFSQOTUWCF-UHFFFAOYSA-N
Compound name
5-butyl-2-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.17123 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17851 213.2
[M+Na]+ 467.16045 221.2
[M-H]- 443.16395 221.5
[M+NH4]+ 462.20505 219.5
[M+K]+ 483.13439 215.4
[M+H-H2O]+ 427.16849 198.3
[M+HCOO]- 489.16943 225.5
[M+CH3COO]- 503.18508 220.8
[M+Na-2H]- 465.14590 209.3
[M]+ 444.17068 209.2
[M]- 444.17178 209.2
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