CID 145818934

5chcaafch

Structural Information

Molecular Formula
C18H31FO2
SMILES
CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)F
InChI
InChI=1S/C18H31FO2/c1-2-3-4-5-14-6-8-15(9-7-14)18(20)21-17-12-10-16(19)11-13-17/h14-17H,2-13H2,1H3
InChIKey
AKKBSLVMSSXTOA-UHFFFAOYSA-N
Compound name
(4-fluorocyclohexyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2308 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23808 176.2
[M+Na]+ 321.22002 176.7
[M-H]- 297.22352 178.8
[M+NH4]+ 316.26462 190.8
[M+K]+ 337.19396 173.7
[M+H-H2O]+ 281.22806 167.5
[M+HCOO]- 343.22900 189.0
[M+CH3COO]- 357.24465 204.6
[M+Na-2H]- 319.20547 172.7
[M]+ 298.23025 169.1
[M]- 298.23135 169.1
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.