CID 86866

Fenoprop-butotyl

Structural Information

Molecular Formula
C15H19Cl3O4
SMILES
CCCCOCCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C15H19Cl3O4/c1-3-4-5-20-6-7-21-15(19)10(2)22-14-9-12(17)11(16)8-13(14)18/h8-10H,3-7H2,1-2H3
InChIKey
HKEDNNONOKONNF-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

360
Patents

368.03488 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04216 174.9
[M+Na]+ 391.02410 183.4
[M-H]- 367.02760 177.0
[M+NH4]+ 386.06870 189.5
[M+K]+ 406.99804 178.4
[M+H-H2O]+ 351.03214 171.1
[M+HCOO]- 413.03308 182.0
[M+CH3COO]- 427.04873 213.6
[M+Na-2H]- 389.00955 174.0
[M]+ 368.03433 185.1
[M]- 368.03543 185.1
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

patents stripe