CID 615302

92118-82-6

Structural Information

Molecular Formula
C23H24FNO2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C23H24FNO2/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/h8-14,16-17H,2-7H2,1H3
InChIKey
WODHCUQSMMCWJW-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

365.1791 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18638 189.6
[M+Na]+ 388.16832 197.2
[M-H]- 364.17182 195.1
[M+NH4]+ 383.21292 200.2
[M+K]+ 404.14226 189.0
[M+H-H2O]+ 348.17636 173.3
[M+HCOO]- 410.17730 203.3
[M+CH3COO]- 424.19295 226.1
[M+Na-2H]- 386.15377 187.4
[M]+ 365.17855 181.6
[M]- 365.17965 181.6
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