Mecoprop (C10H11ClO3)

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

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

InChIKey

WNTGYJSOUMFZEP-UHFFFAOYSA-N

Compound name

2-(4-chloro-2-methylphenoxy)propanoic acid

Related CIDs

2D Structure

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	141.1
[M+Na]+	237.028888	150.0
[M-H]-	213.032394	143.9
[M+NH4]+	232.073493	160.3
[M+K]+	253.002828	147.0
[M+H-H2O]+	197.036930	136.9
[M+HCOO]-	259.037871	158.3
[M+CH3COO]-	273.053521	184.8
[M+Na-2H]-	235.014336	144.2
[M]+	214.03912142	144.8
[M]-	214.04021858	144.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

215.046946

141.1

[M+Na]+

237.028888

150.0

[M-H]-

213.032394

143.9

[M+NH4]+

232.073493

160.3

[M+K]+

253.002828

147.0

[M+H-H2O]+

197.036930

136.9

[M+HCOO]-

259.037871

158.3

[M+CH3COO]-

273.053521

184.8

[M+Na-2H]-

235.014336

144.2

[M]+

214.03912142

144.8

[M]-

214.04021858

144.8

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

Mecoprop

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe