CID 19609416

123560-52-1

Structural Information

Molecular Formula
C24H36F2O2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)COC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H36F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h14-15,17-20H,3-13,16H2,1-2H3
InChIKey
QSYXKGQRJHEOEK-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

394.26834 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.27562 200.7
[M+Na]+ 417.25756 202.6
[M-H]- 393.26106 205.3
[M+NH4]+ 412.30216 211.6
[M+K]+ 433.23150 197.2
[M+H-H2O]+ 377.26560 189.0
[M+HCOO]- 439.26654 212.4
[M+CH3COO]- 453.28219 225.0
[M+Na-2H]- 415.24301 194.7
[M]+ 394.26779 194.4
[M]- 394.26889 194.4
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