CID 269535

Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate

Structural Information

Molecular Formula

C₁₁H₁₁ClO₄

SMILES

COC1=C(C=C(C=C1)Cl)C2C(O2)C(=O)OC

InChI

InChI=1S/C11H11ClO4/c1-14-8-4-3-6(12)5-7(8)9-10(16-9)11(13)15-2/h3-5,9-10H,1-2H3

InChIKey

UKUHRBVTJWEYBW-UHFFFAOYSA-N

Compound name

methyl 3-(5-chloro-2-methoxyphenyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.03459 Da
Monoisotopic Mass: 1.9
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]+	243.041866	146.3
[M+Na]+	265.023808	157.9
[M-H]-	241.027314	155.2
[M+NH4]+	260.068413	159.3
[M+K]+	280.997748	155.7
[M+H-H2O]+	225.031850	140.5
[M+HCOO]-	287.032791	165.2
[M+CH3COO]-	301.048441	193.5
[M+Na-2H]-	263.009256	151.3
[M]+	242.03404142	156.1
[M]-	242.03513858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.