CID 215111

34971-19-2

Structural Information

Molecular Formula

C₁₂H₁₁ClO₄

SMILES

COC(=O)C1(CCC(=O)O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClO4/c1-16-11(15)12(7-6-10(14)17-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3

InChIKey

DLXWKAHIUKMDIQ-UHFFFAOYSA-N

Compound name

methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.03459 Da
Monoisotopic Mass: 2.2
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]+	255.041866	151.3
[M+Na]+	277.023808	160.6
[M-H]-	253.027314	159.2
[M+NH4]+	272.068413	171.6
[M+K]+	292.997748	158.4
[M+H-H2O]+	237.031850	146.8
[M+HCOO]-	299.032791	169.1
[M+CH3COO]-	313.048441	188.9
[M+Na-2H]-	275.009256	155.3
[M]+	254.03404142	155.1
[M]-	254.03513858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.