CID 16002

1929-73-3

Structural Information

Molecular Formula
C14H18Cl2O4
SMILES
CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
InChIKey
ZMWGIGHRZQTQRE-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

2330
Patents

320.05823 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06551 167.5
[M+Na]+ 343.04745 180.3
[M+NH4]+ 338.09205 174.5
[M+K]+ 359.02139 172.8
[M-H]- 319.05095 168.2
[M+Na-2H]- 341.03290 172.4
[M]+ 320.05768 170.0
[M]- 320.05878 170.0
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