CID 23391195

2of4t

Structural Information

Molecular Formula
C24H25FO
SMILES
CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCC)F
InChI
InChI=1S/C24H25FO/c1-3-5-6-18-7-9-19(10-8-18)21-13-16-23(24(25)17-21)20-11-14-22(15-12-20)26-4-2/h7-17H,3-6H2,1-2H3
InChIKey
UQHUUZBLALSXFM-UHFFFAOYSA-N
Compound name
4-(4-butylphenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.18893 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19621 186.4
[M+Na]+ 371.17815 193.7
[M-H]- 347.18165 194.5
[M+NH4]+ 366.22275 199.5
[M+K]+ 387.15209 186.9
[M+H-H2O]+ 331.18619 175.6
[M+HCOO]- 393.18713 207.6
[M+CH3COO]- 407.20278 217.0
[M+Na-2H]- 369.16360 187.7
[M]+ 348.18838 188.0
[M]- 348.18948 188.0
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