CID 62037

Dichlorprop-butotyl

Structural Information

Molecular Formula
C15H20Cl2O4
SMILES
CCCCOCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKey
NCMJQZVNCFTQPG-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(2,4-dichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1406
Patents

334.07385 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08113 171.8
[M+Na]+ 357.06307 184.1
[M+NH4]+ 352.10767 178.6
[M+K]+ 373.03701 177.2
[M-H]- 333.06657 172.3
[M+Na-2H]- 355.04852 176.2
[M]+ 334.07330 174.2
[M]- 334.07440 174.2
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