CID 62039

2,4-d 2-ethyl-4-methylpentyl ester

Structural Information

Molecular Formula
C16H22Cl2O3
SMILES
CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3
InChIKey
FWXSAXJNSVIOLZ-UHFFFAOYSA-N
Compound name
(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

332.0946 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10188 173.8
[M+Na]+ 355.08382 186.0
[M+NH4]+ 350.12842 180.9
[M+K]+ 371.05776 179.1
[M-H]- 331.08732 174.5
[M+Na-2H]- 353.06927 177.9
[M]+ 332.09405 176.3
[M]- 332.09515 176.3
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