CID 23391178

4obchcaadfp

Structural Information

Molecular Formula
C23H32F2O3
SMILES
CCCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C23H32F2O3/c1-2-3-14-27-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(26)28-20-12-13-21(24)22(25)15-20/h12-13,15-19H,2-11,14H2,1H3
InChIKey
FEZFRXMUYPWKMQ-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl) 4-(4-butoxycyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.23196 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23924 198.1
[M+Na]+ 417.22118 199.5
[M-H]- 393.22468 202.7
[M+NH4]+ 412.26578 208.5
[M+K]+ 433.19512 194.9
[M+H-H2O]+ 377.22922 186.6
[M+HCOO]- 439.23016 209.5
[M+CH3COO]- 453.24581 222.4
[M+Na-2H]- 415.20663 192.3
[M]+ 394.23141 191.2
[M]- 394.23251 191.2
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