CID 13931865

6bchcaatfmep

Structural Information

Molecular Formula
C26H37F3O2
SMILES
CCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C26H37F3O2/c1-2-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25(30)31-24-17-15-23(16-18-24)26(27,28)29/h15-22H,2-14H2,1H3
InChIKey
YBKCHHNXDBXYEY-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)phenyl] 4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

438.27457 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28185 211.5
[M+Na]+ 461.26379 211.3
[M-H]- 437.26729 213.9
[M+NH4]+ 456.30839 219.9
[M+K]+ 477.23773 205.4
[M+H-H2O]+ 421.27183 199.0
[M+HCOO]- 483.27277 219.0
[M+CH3COO]- 497.28842 230.4
[M+Na-2H]- 459.24924 205.0
[M]+ 438.27402 202.0
[M]- 438.27512 202.0
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