CID 79209

5317-66-8

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H10Cl2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

XNQDHXMQDHWHRU-UHFFFAOYSA-N

Compound name

ethyl 2,2-dichloro-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 202
Patents: 232.00578 Da
Monoisotopic Mass: 3.3
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]+	233.013056	145.4
[M+Na]+	254.994998	154.1
[M-H]-	230.998504	148.5
[M+NH4]+	250.039603	164.6
[M+K]+	270.968938	149.7
[M+H-H2O]+	215.003040	141.5
[M+HCOO]-	277.003981	158.2
[M+CH3COO]-	291.019631	186.5
[M+Na-2H]-	252.980446	151.4
[M]+	232.00523142	149.8
[M]-	232.00632858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe