CID 153737678

3chbzotfmeop

Structural Information

Molecular Formula
C23H25F3O3
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C23H25F3O3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(27)28-20-12-14-21(15-13-20)29-23(24,25)26/h8-17H,2-7H2,1H3
InChIKey
HDZONUVOVONQMF-UHFFFAOYSA-N
Compound name
[4-(trifluoromethoxy)phenyl] 4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.17557 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18285 197.6
[M+Na]+ 429.16479 201.7
[M-H]- 405.16829 202.0
[M+NH4]+ 424.20939 207.6
[M+K]+ 445.13873 196.6
[M+H-H2O]+ 389.17283 185.3
[M+HCOO]- 451.17377 210.7
[M+CH3COO]- 465.18942 222.5
[M+Na-2H]- 427.15024 195.8
[M]+ 406.17502 192.9
[M]- 406.17612 192.9
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.