CID 23391207

186320-72-9

Structural Information

Molecular Formula
C23H23F2NO2
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F
InChI
InChI=1S/C23H23F2NO2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)23(27)28-19-12-21(24)20(14-26)22(25)13-19/h8-13,15-16H,2-7H2,1H3
InChIKey
FOGBDJUSLHTVSQ-UHFFFAOYSA-N
Compound name
(4-cyano-3,5-difluorophenyl) 4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

383.16968 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17696 191.0
[M+Na]+ 406.15890 199.4
[M-H]- 382.16240 195.6
[M+NH4]+ 401.20350 201.1
[M+K]+ 422.13284 191.0
[M+H-H2O]+ 366.16694 174.1
[M+HCOO]- 428.16788 203.8
[M+CH3COO]- 442.18353 229.6
[M+Na-2H]- 404.14435 187.7
[M]+ 383.16913 182.4
[M]- 383.17023 182.4
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