CID 13643746

92118-81-5

Structural Information

Molecular Formula
C22H22FNO2
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C22H22FNO2/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(25)26-20-12-11-19(14-24)21(23)13-20/h7-13,15-16H,2-6H2,1H3
InChIKey
FXUZUGKUGSWLJI-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-ethylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

351.16345 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17073 185.7
[M+Na]+ 374.15267 193.7
[M-H]- 350.15617 191.4
[M+NH4]+ 369.19727 196.8
[M+K]+ 390.12661 185.7
[M+H-H2O]+ 334.16071 169.6
[M+HCOO]- 396.16165 199.7
[M+CH3COO]- 410.17730 223.5
[M+Na-2H]- 372.13812 184.0
[M]+ 351.16290 177.4
[M]- 351.16400 177.4
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