CID 23391175

3chcaatfmefp

Structural Information

Molecular Formula
C17H20F4O2
SMILES
CCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C(F)(F)F)F
InChI
InChI=1S/C17H20F4O2/c1-2-3-11-4-6-12(7-5-11)16(22)23-15-9-8-13(10-14(15)18)17(19,20)21/h8-12H,2-7H2,1H3
InChIKey
ZBIKXRCTYOVKAN-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(trifluoromethyl)phenyl] 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.13995 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14723 175.6
[M+Na]+ 355.12917 181.3
[M-H]- 331.13267 176.1
[M+NH4]+ 350.17377 189.3
[M+K]+ 371.10311 177.1
[M+H-H2O]+ 315.13721 164.8
[M+HCOO]- 377.13815 188.3
[M+CH3COO]- 391.15380 209.6
[M+Na-2H]- 353.11462 174.0
[M]+ 332.13940 168.8
[M]- 332.14050 168.8
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