CID 23391224

87592-58-3

Structural Information

Molecular Formula
C21H23FO2
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FO2/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21(23)24-20-13-11-19(22)12-14-20/h7-16H,2-6H2,1H3
InChIKey
JGKXHDVVHRMGET-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-(4-ethylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.1682 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17548 178.6
[M+Na]+ 349.15742 183.1
[M-H]- 325.16092 185.9
[M+NH4]+ 344.20202 191.9
[M+K]+ 365.13136 178.1
[M+H-H2O]+ 309.16546 168.4
[M+HCOO]- 371.16640 196.0
[M+CH3COO]- 385.18205 209.5
[M+Na-2H]- 347.14287 178.1
[M]+ 326.16765 174.5
[M]- 326.16875 174.5
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