CID 3017298

61961-10-2

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂O₃

SMILES

CC(C)OC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H14Cl2O3/c1-7(2)16-12(15)8(3)17-11-5-4-9(13)6-10(11)14/h4-8H,1-3H3

InChIKey

XHHBHDZZDQFOBK-UHFFFAOYSA-N

Compound name

propan-2-yl 2-(2,4-dichlorophenoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.032 Da
Monoisotopic Mass: 4.6
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	154.1
[M+Na]+	299.021218	162.9
[M-H]-	275.024724	157.6
[M+NH4]+	294.065823	172.0
[M+K]+	314.995158	159.2
[M+H-H2O]+	259.029260	150.3
[M+HCOO]-	321.030201	166.3
[M+CH3COO]-	335.045851	198.0
[M+Na-2H]-	297.006666	155.0
[M]+	276.03145142	160.9
[M]-	276.03254858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe