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]+ 333.101876 173.1
[M+Na]+ 355.083818 180.1
[M-H]- 331.087324 175.8
[M+NH4]+ 350.128423 188.7
[M+K]+ 371.057758 175.5
[M+H-H2O]+ 315.091860 168.4
[M+HCOO]- 377.092801 183.9
[M+CH3COO]- 391.108451 209.6
[M+Na-2H]- 353.069266 171.7
[M]+ 332.09405142 181.3
[M]- 332.09514858 181.3
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