CID 103600

52179-28-9

Structural Information

Molecular Formula
C15H18Cl2O3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2CC2(Cl)Cl
InChI
InChI=1S/C15H18Cl2O3/c1-4-19-13(18)14(2,3)20-11-7-5-10(6-8-11)12-9-15(12,16)17/h5-8,12H,4,9H2,1-3H3
InChIKey
UHYJTDLWNOQAFE-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

316.0633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07058 168.2
[M+Na]+ 339.05252 182.7
[M+NH4]+ 334.09712 177.8
[M+K]+ 355.02646 175.6
[M-H]- 315.05602 176.9
[M+Na-2H]- 337.03797 178.2
[M]+ 316.06275 174.7
[M]- 316.06385 174.7
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