CID 22894816

Ethyl 1-(2-(2,4-dichlorophenyl)acetoxy)cyclohexanecarboxylate

Structural Information

Molecular Formula
C17H20Cl2O4
SMILES
CCOC(=O)C1(CCCCC1)OC(=O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H20Cl2O4/c1-2-22-16(21)17(8-4-3-5-9-17)23-15(20)10-12-6-7-13(18)11-14(12)19/h6-7,11H,2-5,8-10H2,1H3
InChIKey
RDKYUGAYISTHTP-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(2,4-dichlorophenyl)acetyl]oxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

358.07385 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08113 177.2
[M+Na]+ 381.06307 183.5
[M-H]- 357.06657 182.6
[M+NH4]+ 376.10767 193.1
[M+K]+ 397.03701 178.8
[M+H-H2O]+ 341.07111 172.0
[M+HCOO]- 403.07205 186.3
[M+CH3COO]- 417.08770 208.7
[M+Na-2H]- 379.04852 177.4
[M]+ 358.07330 180.8
[M]- 358.07440 180.8
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