CID 134241670

3f2cht

Structural Information

Molecular Formula
C29H33F
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CC)F
InChI
InChI=1S/C29H33F/c1-3-5-22-8-12-25(13-9-22)27-18-19-28(29(30)20-27)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23/h8-9,12-21,23H,3-7,10-11H2,1-2H3
InChIKey
VXCZALFBUPSUOS-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)phenyl]-2-fluoro-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

400.25662 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.26390 203.6
[M+Na]+ 423.24584 207.7
[M-H]- 399.24934 213.2
[M+NH4]+ 418.29044 213.8
[M+K]+ 439.21978 199.3
[M+H-H2O]+ 383.25388 191.1
[M+HCOO]- 445.25482 219.6
[M+CH3COO]- 459.27047 211.3
[M+Na-2H]- 421.23129 200.5
[M]+ 400.25607 198.6
[M]- 400.25717 198.6
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