CID 62037

2,4-dp butoxyethyl ester

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
5
Annotation Hits

2
References

1146
Patents

334.07385 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.081126 171.5
[M+Na]+ 357.063068 179.1
[M-H]- 333.066574 174.3
[M+NH4]+ 352.107673 187.0
[M+K]+ 373.037008 174.9
[M+H-H2O]+ 317.071110 166.6
[M+HCOO]- 379.072051 183.8
[M+CH3COO]- 393.087701 207.8
[M+Na-2H]- 355.048516 171.9
[M]+ 334.07330142 181.4
[M]- 334.07439858 181.4
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