CID 59734844

3ft4

Structural Information

Molecular Formula
C25H27F
SMILES
CCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCC)F
InChI
InChI=1S/C25H27F/c1-3-5-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(6-4-2)9-13-21/h8-18H,3-7H2,1-2H3
InChIKey
RFXQOKKYVUNIBP-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

346.2097 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21698 187.1
[M+Na]+ 369.19892 194.0
[M-H]- 345.20242 194.9
[M+NH4]+ 364.24352 200.4
[M+K]+ 385.17286 186.4
[M+H-H2O]+ 329.20696 176.4
[M+HCOO]- 391.20790 207.8
[M+CH3COO]- 405.22355 217.9
[M+Na-2H]- 367.18437 187.9
[M]+ 346.20915 187.6
[M]- 346.21025 187.6
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