CID 15131436

5ch3ft

Structural Information

Molecular Formula
C32H39F
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCC)F
InChI
InChI=1S/C32H39F/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3
InChIKey
KXTRPBKEKFJAMU-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

442.3036 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.31088 216.9
[M+Na]+ 465.29282 219.6
[M-H]- 441.29632 225.8
[M+NH4]+ 460.33742 225.3
[M+K]+ 481.26676 210.5
[M+H-H2O]+ 425.30086 203.7
[M+HCOO]- 487.30180 231.8
[M+CH3COO]- 501.31745 223.2
[M+Na-2H]- 463.27827 212.1
[M]+ 442.30305 212.8
[M]- 442.30415 212.8
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