CID 112043

Ethyl 2-(2,4,5-trichlorophenoxy)propanoate

Structural Information

Molecular Formula
C11H11Cl3O3
SMILES
CCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl3O3/c1-3-16-11(15)6(2)17-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3
InChIKey
KPHBYKLGXIRBSS-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9774 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.984676 154.6
[M+Na]+ 318.966618 164.7
[M-H]- 294.970124 157.2
[M+NH4]+ 314.011223 171.9
[M+K]+ 334.940558 160.0
[M+H-H2O]+ 278.974660 151.7
[M+HCOO]- 340.975601 162.6
[M+CH3COO]- 354.991251 200.5
[M+Na-2H]- 316.952066 155.5
[M]+ 295.97685142 161.9
[M]- 295.97794858 161.9
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

No patent data available for this compound.