CID 14495661

3bchcaa2odfp

Structural Information

Molecular Formula
C24H34F2O3
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H34F2O3/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(27)29-21-15-14-20(28-4-2)22(25)23(21)26/h14-19H,3-13H2,1-2H3
InChIKey
JFZZLXPAOOREHN-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,3-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

408.2476 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.25488 202.4
[M+Na]+ 431.23682 204.2
[M-H]- 407.24032 207.1
[M+NH4]+ 426.28142 212.5
[M+K]+ 447.21076 199.5
[M+H-H2O]+ 391.24486 190.9
[M+HCOO]- 453.24580 213.4
[M+CH3COO]- 467.26145 226.6
[M+Na-2H]- 429.22227 195.4
[M]+ 408.24705 196.2
[M]- 408.24815 196.2
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