CID 83386

13370-48-4

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

CC1=CC(=C(C=C1Cl)C)OCC(=O)O

InChI

InChI=1S/C10H11ClO3/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)

InChIKey

FYSOXVMOZFIWIU-UHFFFAOYSA-N

Compound name

2-(4-chloro-2,5-dimethylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.03967 Da
Monoisotopic Mass: 2.8
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]+	215.046946	140.6
[M+Na]+	237.028888	150.8
[M-H]-	213.032394	143.8
[M+NH4]+	232.073493	160.2
[M+K]+	253.002828	147.3
[M+H-H2O]+	197.036930	136.5
[M+HCOO]-	259.037871	158.8
[M+CH3COO]-	273.053521	185.1
[M+Na-2H]-	235.014336	144.3
[M]+	214.03912142	145.3
[M]-	214.04021858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe