CID 13574794

94353-26-1

Structural Information

Molecular Formula
C23H30FNO2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C23H30FNO2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(26)27-21-13-12-20(15-25)22(24)14-21/h12-14,16-19H,2-11H2,1H3
InChIKey
FQZYWEUVRMEURZ-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

371.22604 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23332 189.4
[M+Na]+ 394.21526 194.5
[M-H]- 370.21876 194.2
[M+NH4]+ 389.25986 199.8
[M+K]+ 410.18920 186.6
[M+H-H2O]+ 354.22330 173.6
[M+HCOO]- 416.22424 199.5
[M+CH3COO]- 430.23989 227.2
[M+Na-2H]- 392.20071 185.0
[M]+ 371.22549 177.8
[M]- 371.22659 177.8
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