CID 58471750

473257-14-6

Structural Information

Molecular Formula
C24H36F2O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCCC)F)F
InChI
InChI=1S/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3
InChIKey
WGONOKAJJBMHGL-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

378.2734 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28068 202.2
[M+Na]+ 401.26262 212.5
[M+NH4]+ 396.30722 209.5
[M+K]+ 417.23656 202.6
[M-H]- 377.26612 205.9
[M+Na-2H]- 399.24807 206.1
[M]+ 378.27285 204.6
[M]- 378.27395 204.6
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