CID 59734846

825633-75-8

Structural Information

Molecular Formula
C24H25F
SMILES
CCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CC)F
InChI
InChI=1S/C24H25F/c1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24(23)25)20-11-7-18(4-2)8-12-20/h7-17H,3-6H2,1-2H3
InChIKey
ROKKABRWIYSBLP-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

332.19403 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20131 182.5
[M+Na]+ 355.18325 189.9
[M-H]- 331.18675 190.5
[M+NH4]+ 350.22785 196.4
[M+K]+ 371.15719 182.5
[M+H-H2O]+ 315.19129 172.0
[M+HCOO]- 377.19223 203.5
[M+CH3COO]- 391.20788 215.0
[M+Na-2H]- 353.16870 183.8
[M]+ 332.19348 182.7
[M]- 332.19458 182.7
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