CID 23391187

2chcaaf3op

Structural Information

Molecular Formula
C18H25FO3
SMILES
CCCOC1=C(C=C(C=C1)OC(=O)C2CCC(CC2)CC)F
InChI
InChI=1S/C18H25FO3/c1-3-11-21-17-10-9-15(12-16(17)19)22-18(20)14-7-5-13(4-2)6-8-14/h9-10,12-14H,3-8,11H2,1-2H3
InChIKey
VUWBNZBMBUTOEG-UHFFFAOYSA-N
Compound name
(3-fluoro-4-propoxyphenyl) 4-ethylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.17877 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18605 173.8
[M+Na]+ 331.16799 178.3
[M-H]- 307.17149 178.0
[M+NH4]+ 326.21259 188.5
[M+K]+ 347.14193 175.3
[M+H-H2O]+ 291.17603 164.9
[M+HCOO]- 353.17697 191.2
[M+CH3COO]- 367.19262 206.7
[M+Na-2H]- 329.15344 172.7
[M]+ 308.17822 172.9
[M]- 308.17932 172.9
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