CID 42720

58327-09-6

Structural Information

Molecular Formula
C17H23FO3
SMILES
CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FO3/c1-12-8-15(10-17(2,3)9-12)21-16(19)11-20-14-6-4-13(18)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKey
ZHUVVZYKDYFWJP-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-(4-fluorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.16312 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.17040 168.3
[M+Na]+ 317.15234 174.3
[M-H]- 293.15584 173.2
[M+NH4]+ 312.19694 185.8
[M+K]+ 333.12628 171.9
[M+H-H2O]+ 277.16038 160.6
[M+HCOO]- 339.16132 186.2
[M+CH3COO]- 353.17697 203.2
[M+Na-2H]- 315.13779 169.1
[M]+ 294.16257 167.5
[M]- 294.16367 167.5
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.