CID 74727

Propyl 2-(2,4,5-trichlorophenoxy)acetate

Structural Information

Molecular Formula
C11H11Cl3O3
SMILES
CCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl3O3/c1-2-3-16-11(15)6-17-10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6H2,1H3
InChIKey
KQPZLIOOEZZUFO-UHFFFAOYSA-N
Compound name
propyl 2-(2,4,5-trichlorophenoxy)acetate
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 155.7
[M+Na]+ 318.966618 166.1
[M-H]- 294.970124 158.2
[M+NH4]+ 314.011223 173.1
[M+K]+ 334.940558 160.9
[M+H-H2O]+ 278.974660 152.6
[M+HCOO]- 340.975601 164.6
[M+CH3COO]- 354.991251 199.6
[M+Na-2H]- 316.952066 157.7
[M]+ 295.97685142 163.5
[M]- 295.97794858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.