CID 61287

1928-57-0

Structural Information

Molecular Formula
C17H24Cl2O5
SMILES
CCCCOCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C17H24Cl2O5/c1-2-3-7-21-10-11-22-8-4-9-23-17(20)13-24-16-6-5-14(18)12-15(16)19/h5-6,12H,2-4,7-11,13H2,1H3
InChIKey
RJKOZHSBYKYUJB-UHFFFAOYSA-N
Compound name
3-(2-butoxyethoxy)propyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.10007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10735 183.1
[M+Na]+ 401.08929 190.0
[M-H]- 377.09279 185.4
[M+NH4]+ 396.13389 196.9
[M+K]+ 417.06323 185.4
[M+H-H2O]+ 361.09733 177.4
[M+HCOO]- 423.09827 195.9
[M+CH3COO]- 437.11392 214.7
[M+Na-2H]- 399.07474 183.8
[M]+ 378.09952 195.7
[M]- 378.10062 195.7
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