CID 23391188

2ochfbzof3p

Structural Information

Molecular Formula
C24H28F2O3
SMILES
CCCC1=C(C=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)OCC)F)F
InChI
InChI=1S/C24H28F2O3/c1-3-5-17-8-12-20(15-22(17)25)29-24(27)21-13-9-18(14-23(21)26)16-6-10-19(11-7-16)28-4-2/h8-9,12-16,19H,3-7,10-11H2,1-2H3
InChIKey
XPPAFYCRRHMORZ-UHFFFAOYSA-N
Compound name
(3-fluoro-4-propylphenyl) 4-(4-ethoxycyclohexyl)-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.20065 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20793 198.7
[M+Na]+ 425.18987 203.6
[M-H]- 401.19337 204.7
[M+NH4]+ 420.23447 209.3
[M+K]+ 441.16381 198.3
[M+H-H2O]+ 385.19791 186.9
[M+HCOO]- 447.19885 214.1
[M+CH3COO]- 461.21450 225.5
[M+Na-2H]- 423.17532 194.6
[M]+ 402.20010 196.8
[M]- 402.20120 196.8
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