CID 19862

2,4-d 2-butoxyisopropyl ester

Structural Information

Molecular Formula

C₁₅H₂₀Cl₂O₄

SMILES

CCCCOCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H20Cl2O4/c1-3-4-7-19-9-11(2)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

WMEYEJLFPRLQAP-UHFFFAOYSA-N

Compound name

1-butoxypropan-2-yl 2-(2,4-dichlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 334.07385 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe