CID 17349

2,4,5-t butoxyethyl ester

Structural Information

Molecular Formula
C14H17Cl3O4
SMILES
CCCCOCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3
InChIKey
GLDWASBMYWLQGG-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(2,4,5-trichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

423
Patents

354.01926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02654 171.4
[M+Na]+ 377.00848 180.4
[M-H]- 353.01198 173.4
[M+NH4]+ 372.05308 186.5
[M+K]+ 392.98242 175.2
[M+H-H2O]+ 337.01652 167.5
[M+HCOO]- 399.01746 179.5
[M+CH3COO]- 413.03311 210.0
[M+Na-2H]- 374.99393 171.9
[M]+ 354.01871 181.6
[M]- 354.01981 181.6
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

patents stripe