CID 121688

Silvex 2-butoxyethyl ester

Structural Information

Molecular Formula
C15H19Cl3O4
SMILES
CCCCOCCOC(=O)CCOC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C15H19Cl3O4/c1-2-3-5-20-7-8-22-15(19)4-6-21-14-10-12(17)11(16)9-13(14)18/h9-10H,2-8H2,1H3
InChIKey
WERRVXJNLSIJED-UHFFFAOYSA-N
Compound name
2-butoxyethyl 3-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.03488 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04216 175.9
[M+Na]+ 391.02410 184.5
[M-H]- 367.02760 177.8
[M+NH4]+ 386.06870 190.5
[M+K]+ 406.99804 179.1
[M+H-H2O]+ 351.03214 171.8
[M+HCOO]- 413.03308 183.8
[M+CH3COO]- 427.04873 212.8
[M+Na-2H]- 389.00955 175.9
[M]+ 368.03433 186.5
[M]- 368.03543 186.5
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.