CID 16000

2,4,5-t butoxyethoxypropanol ester

Structural Information

Molecular Formula
C17H23Cl3O5
SMILES
CCCCOCCOCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C17H23Cl3O5/c1-2-3-5-22-8-9-23-6-4-7-24-17(21)12-25-16-11-14(19)13(18)10-15(16)20/h10-11H,2-9,12H2,1H3
InChIKey
LLJYINGOCKRAGZ-UHFFFAOYSA-N
Compound name
3-(2-butoxyethoxy)propyl 2-(2,4,5-trichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

412.0611 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06838 186.5
[M+Na]+ 435.05032 194.2
[M-H]- 411.05382 188.1
[M+NH4]+ 430.09492 199.3
[M+K]+ 451.02426 189.0
[M+H-H2O]+ 395.05836 181.9
[M+HCOO]- 457.05930 194.0
[M+CH3COO]- 471.07495 220.2
[M+Na-2H]- 433.03577 185.7
[M]+ 412.06055 199.3
[M]- 412.06165 199.3
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.