CID 117713229

5chf2t

Structural Information

Molecular Formula
C31H37F
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC=C(C=C4)CC)F
InChI
InChI=1S/C31H37F/c1-3-5-6-7-24-10-14-25(15-11-24)26-16-18-28(19-17-26)30-21-20-29(22-31(30)32)27-12-8-23(4-2)9-13-27/h8-9,12-13,16-22,24-25H,3-7,10-11,14-15H2,1-2H3
InChIKey
NFADZWLVCNEXIG-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)-2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

428.28793 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.29521 212.5
[M+Na]+ 451.27715 215.7
[M-H]- 427.28065 221.6
[M+NH4]+ 446.32175 221.5
[M+K]+ 467.25109 206.8
[M+H-H2O]+ 411.28519 199.5
[M+HCOO]- 473.28613 227.8
[M+CH3COO]- 487.30178 219.2
[M+Na-2H]- 449.26260 208.3
[M]+ 428.28738 208.0
[M]- 428.28848 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