CID 117713179

Tfmeofpo-cf2-5bch

Structural Information

Molecular Formula
C25H34F6O2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C=C3)OC(F)(F)F)F)(F)F
InChI
InChI=1S/C25H34F6O2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24(27,28)32-21-14-15-23(22(26)16-21)33-25(29,30)31/h14-20H,2-13H2,1H3
InChIKey
WZCCMYUNDSYVBA-UHFFFAOYSA-N
Compound name
4-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

480.2463 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25358 218.6
[M+Na]+ 503.23552 220.4
[M-H]- 479.23902 217.6
[M+NH4]+ 498.28012 225.5
[M+K]+ 519.20946 214.1
[M+H-H2O]+ 463.24356 203.9
[M+HCOO]- 525.24450 222.3
[M+CH3COO]- 539.26015 237.8
[M+Na-2H]- 501.22097 212.2
[M]+ 480.24575 206.4
[M]- 480.24685 206.4
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