CID 14840

2,4-d-2-butoxypropyl

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

1
References

994
Patents

334.07385 Da
Monoisotopic Mass

4.7
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