CID 23391138

F4odft

Structural Information

Molecular Formula
C22H19F3O
SMILES
CCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)F)F
InChI
InChI=1S/C22H19F3O/c1-2-3-12-26-22-11-7-17(14-21(22)25)19-10-6-16(13-20(19)24)15-4-8-18(23)9-5-15/h4-11,13-14H,2-3,12H2,1H3
InChIKey
IXRUUXFPHHJUIK-UHFFFAOYSA-N
Compound name
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-fluorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.1388 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14608 184.1
[M+Na]+ 379.12802 193.3
[M-H]- 355.13152 190.1
[M+NH4]+ 374.17262 197.0
[M+K]+ 395.10196 186.1
[M+H-H2O]+ 339.13606 171.8
[M+HCOO]- 401.13700 203.8
[M+CH3COO]- 415.15265 217.6
[M+Na-2H]- 377.11347 184.4
[M]+ 356.13825 183.3
[M]- 356.13935 183.3
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