CID 557929

88878-50-6

Structural Information

Molecular Formula
C24H35FO2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)F
InChI
InChI=1S/C24H35FO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h14-21H,2-13H2,1H3
InChIKey
ZVCPJOLFAYLVER-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

374.26212 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26940 196.0
[M+Na]+ 397.25134 196.0
[M-H]- 373.25484 201.4
[M+NH4]+ 392.29594 207.1
[M+K]+ 413.22528 191.0
[M+H-H2O]+ 357.25938 185.3
[M+HCOO]- 419.26032 208.0
[M+CH3COO]- 433.27597 219.4
[M+Na-2H]- 395.23679 190.9
[M]+ 374.26157 188.6
[M]- 374.26267 188.6
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