CID 15997

2,4-d-3-butoxypropyl

Structural Information

Molecular Formula
C15H20Cl2O4
SMILES
CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3
InChIKey
KZWPFFFDRDASOU-UHFFFAOYSA-N
Compound name
3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1272
Patents

334.07385 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08113 172.0
[M+Na]+ 357.06307 184.6
[M+NH4]+ 352.10767 178.8
[M+K]+ 373.03701 176.8
[M-H]- 333.06657 172.6
[M+Na-2H]- 355.04852 176.6
[M]+ 334.07330 174.5
[M]- 334.07440 174.5
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