CID 28595

Brn 2008996

Structural Information

Molecular Formula
C18H23F3O3
SMILES
CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H23F3O3/c1-12-7-15(10-17(2,3)9-12)24-16(22)11-23-14-6-4-5-13(8-14)18(19,20)21/h4-6,8,12,15H,7,9-11H2,1-3H3
InChIKey
GNZUTADJQOWUFX-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15994 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16722 179.1
[M+Na]+ 367.14916 185.3
[M-H]- 343.15266 181.3
[M+NH4]+ 362.19376 194.5
[M+K]+ 383.12310 182.3
[M+H-H2O]+ 327.15720 169.9
[M+HCOO]- 389.15814 192.8
[M+CH3COO]- 403.17379 211.4
[M+Na-2H]- 365.13461 179.1
[M]+ 344.15939 175.8
[M]- 344.16049 175.8
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

No patent data available for this compound.