CID 2736412

34966-52-4

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₃

SMILES

CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

InChIKey

NWUGRKGSCYOUFF-UHFFFAOYSA-N

Compound name

ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 245.98505 Da
Monoisotopic Mass: 4.0
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]+	246.992326	144.4
[M+Na]+	268.974268	154.6
[M-H]-	244.977774	148.1
[M+NH4]+	264.018873	163.5
[M+K]+	284.948208	150.3
[M+H-H2O]+	228.982310	140.9
[M+HCOO]-	290.983251	158.4
[M+CH3COO]-	304.998901	190.4
[M+Na-2H]-	266.959716	147.5
[M]+	245.98450142	150.3
[M]-	245.98559858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe