CID 11247476

208338-52-7

Structural Information

Molecular Formula
C24H33F5O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C24H33F5O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(28,29)30-20-14-21(25)23(27)22(26)15-20/h14-19H,2-13H2,1H3
InChIKey
OGGGWPPCVOSSBU-UHFFFAOYSA-N
Compound name
5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

432.24515 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25243 208.1
[M+Na]+ 455.23437 210.8
[M-H]- 431.23787 208.8
[M+NH4]+ 450.27897 217.3
[M+K]+ 471.20831 203.9
[M+H-H2O]+ 415.24241 194.2
[M+HCOO]- 477.24335 214.6
[M+CH3COO]- 491.25900 231.5
[M+Na-2H]- 453.21982 200.9
[M]+ 432.24460 196.4
[M]- 432.24570 196.4
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