CID 14495663

5bchcaa2odfp

Structural Information

Molecular Formula
C26H38F2O3
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C26H38F2O3/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)26(29)31-23-17-16-22(30-4-2)24(27)25(23)28/h16-21H,3-15H2,1-2H3
InChIKey
FSIHVCIBMOTRGR-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,3-difluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

436.2789 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.28618 211.3
[M+Na]+ 459.26812 212.2
[M-H]- 435.27162 215.6
[M+NH4]+ 454.31272 220.2
[M+K]+ 475.24206 207.1
[M+H-H2O]+ 419.27616 199.4
[M+HCOO]- 481.27710 221.6
[M+CH3COO]- 495.29275 232.5
[M+Na-2H]- 457.25357 203.3
[M]+ 436.27835 205.8
[M]- 436.27945 205.8
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