CID 17089

2436-73-9

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)OC

InChI

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

InChIKey

VWERIRLJUWTNDA-UHFFFAOYSA-N

Compound name

methyl 2-(4-chloro-2-methylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1155
Patents: 214.03967 Da
Monoisotopic Mass: 2.7
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]+	215.04695	141.1
[M+Na]+	237.02889	150.8
[M-H]-	213.03239	145.3
[M+NH4]+	232.07349	161.2
[M+K]+	253.00283	148.2
[M+H-H2O]+	197.03693	136.4
[M+HCOO]-	259.03787	160.8
[M+CH3COO]-	273.05352	185.8
[M+Na-2H]-	235.01434	145.9
[M]+	214.03912	147.1
[M]-	214.04022	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe