CID 23391203

6chbzocfp

Structural Information

Molecular Formula
C26H30FNO2
SMILES
CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)F
InChI
InChI=1S/C26H30FNO2/c1-2-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)26(29)30-25-16-9-20(18-28)17-24(25)27/h9,12-17,19,21H,2-8,10-11H2,1H3
InChIKey
JNBVDGIIUPCXRQ-UHFFFAOYSA-N
Compound name
(4-cyano-2-fluorophenyl) 4-(4-hexylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

407.22604 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.23332 201.1
[M+Na]+ 430.21526 207.5
[M-H]- 406.21876 206.1
[M+NH4]+ 425.25986 210.1
[M+K]+ 446.18920 198.7
[M+H-H2O]+ 390.22330 184.3
[M+HCOO]- 452.22424 213.9
[M+CH3COO]- 466.23989 234.0
[M+Na-2H]- 428.20071 197.5
[M]+ 407.22549 194.0
[M]- 407.22659 194.0
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