CID 23391177

4ochfbzodfp

Structural Information

Molecular Formula
C23H25F3O3
SMILES
CCCCOC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)F)F)F
InChI
InChI=1S/C23H25F3O3/c1-2-3-12-28-17-7-4-15(5-8-17)16-6-10-19(21(25)13-16)23(27)29-18-9-11-20(24)22(26)14-18/h6,9-11,13-15,17H,2-5,7-8,12H2,1H3
InChIKey
WJYIKPONPRCHEM-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl) 4-(4-butoxycyclohexyl)-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.17557 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18285 197.8
[M+Na]+ 429.16479 203.2
[M-H]- 405.16829 202.5
[M+NH4]+ 424.20939 208.1
[M+K]+ 445.13873 197.6
[M+H-H2O]+ 389.17283 185.2
[M+HCOO]- 451.17377 212.4
[M+CH3COO]- 465.18942 225.2
[M+Na-2H]- 427.15024 193.5
[M]+ 406.17502 194.4
[M]- 406.17612 194.4
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