CID 566289

Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester

Structural Information

Molecular Formula
C18H25FO2
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C18H25FO2/c1-2-3-4-5-14-6-8-15(9-7-14)18(20)21-17-12-10-16(19)11-13-17/h10-15H,2-9H2,1H3
InChIKey
MHHQNFQAYOMTRF-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

292.18387 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19115 171.2
[M+Na]+ 315.17309 174.8
[M-H]- 291.17659 175.0
[M+NH4]+ 310.21769 186.3
[M+K]+ 331.14703 171.1
[M+H-H2O]+ 275.18113 162.3
[M+HCOO]- 337.18207 188.4
[M+CH3COO]- 351.19772 203.4
[M+Na-2H]- 313.15854 170.7
[M]+ 292.18332 168.4
[M]- 292.18442 168.4
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