CID 19436057

5chtfmeofb

Structural Information

Molecular Formula
C24H28F4O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C24H28F4O/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-23(22(25)16-21)29-24(26,27)28/h10-18H,2-9H2,1H3
InChIKey
QYBMEVDPIVJOON-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

408.20764 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21492 200.7
[M+Na]+ 431.19686 205.5
[M-H]- 407.20036 203.6
[M+NH4]+ 426.24146 211.0
[M+K]+ 447.17080 198.4
[M+H-H2O]+ 391.20490 187.4
[M+HCOO]- 453.20584 212.7
[M+CH3COO]- 467.22149 225.8
[M+Na-2H]- 429.18231 197.7
[M]+ 408.20709 194.0
[M]- 408.20819 194.0
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