CID 15580

Isobutyl 2,4-dichlorophenoxyacetate

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂O₃

SMILES

CC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3

InChIKey

GPSGZZSRFJXXBA-UHFFFAOYSA-N

Compound name

2-methylpropyl 2-(2,4-dichlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1506
Patents: 276.032 Da
Monoisotopic Mass: 4.5
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]+	277.039276	155.1
[M+Na]+	299.021218	164.1
[M-H]-	275.024724	158.4
[M+NH4]+	294.065823	173.0
[M+K]+	314.995158	159.9
[M+H-H2O]+	259.029260	151.0
[M+HCOO]-	321.030201	168.2
[M+CH3COO]-	335.045851	197.1
[M+Na-2H]-	297.006666	157.0
[M]+	276.03145142	162.4
[M]-	276.03254858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe