CID 14473336

5chcaa2odfp

Structural Information

Molecular Formula
C20H28F2O3
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C20H28F2O3/c1-3-5-6-7-14-8-10-15(11-9-14)20(23)25-17-13-12-16(24-4-2)18(21)19(17)22/h12-15H,3-11H2,1-2H3
InChIKey
IUUNFMBRBVBFHE-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,3-difluorophenyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

354.20065 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20793 185.8
[M+Na]+ 377.18987 190.4
[M-H]- 353.19337 188.6
[M+NH4]+ 372.23447 198.9
[M+K]+ 393.16381 186.5
[M+H-H2O]+ 337.19791 175.8
[M+HCOO]- 399.19885 201.4
[M+CH3COO]- 413.21450 216.5
[M+Na-2H]- 375.17532 182.4
[M]+ 354.20010 184.9
[M]- 354.20120 184.9
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