CID 13650935

4-fluorophenyl 4-hexylcyclohexane-1-carboxylate

Structural Information

Molecular Formula
C19H27FO2
SMILES
CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C19H27FO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)19(21)22-18-13-11-17(20)12-14-18/h11-16H,2-10H2,1H3
InChIKey
OKKQQKNSPAKVCW-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-hexylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1995 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20678 175.8
[M+Na]+ 329.18872 179.0
[M-H]- 305.19222 179.4
[M+NH4]+ 324.23332 190.3
[M+K]+ 345.16266 175.1
[M+H-H2O]+ 289.19676 166.7
[M+HCOO]- 351.19770 192.6
[M+CH3COO]- 365.21335 206.4
[M+Na-2H]- 327.17417 174.8
[M]+ 306.19895 173.4
[M]- 306.20005 173.4
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

No patent data available for this compound.