CID 19792991

2bchcaa2odfp

Structural Information

Molecular Formula
C23H32F2O3
SMILES
CCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H32F2O3/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)23(26)28-20-14-13-19(27-4-2)21(24)22(20)25/h13-18H,3-12H2,1-2H3
InChIKey
IHHBIDBYPBPZBO-UHFFFAOYSA-N
Compound name
(4-ethoxy-2,3-difluorophenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.23196 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23924 197.9
[M+Na]+ 417.22118 200.2
[M-H]- 393.22468 202.9
[M+NH4]+ 412.26578 208.7
[M+K]+ 433.19512 195.7
[M+H-H2O]+ 377.22922 186.6
[M+HCOO]- 439.23016 209.3
[M+CH3COO]- 453.24581 223.7
[M+Na-2H]- 415.20663 191.5
[M]+ 394.23141 191.4
[M]- 394.23251 191.4
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