CID 134241671

4f3cht

Structural Information

Molecular Formula
C31H37F
SMILES
CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C31H37F/c1-3-5-7-24-10-14-27(15-11-24)29-20-21-30(31(32)22-29)28-18-16-26(17-19-28)25-12-8-23(6-4-2)9-13-25/h10-11,14-23,25H,3-9,12-13H2,1-2H3
InChIKey
GLYPFZCNZZNAOP-UHFFFAOYSA-N
Compound name
4-(4-butylphenyl)-2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

428.28793 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.295206 212.5
[M+Na]+ 451.277148 215.7
[M-H]- 427.280654 221.6
[M+NH4]+ 446.321753 221.5
[M+K]+ 467.251088 206.8
[M+H-H2O]+ 411.285190 199.5
[M+HCOO]- 473.286131 227.8
[M+CH3COO]- 487.301781 219.2
[M+Na-2H]- 449.262596 208.3
[M]+ 428.28738142 208.0
[M]- 428.28847858 208.0
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