CID 97752

Ethyl 2-chloro-2-phenylacetate

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

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

InChI

InChI=1S/C10H11ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey

XXRLJXZVZZXDPP-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 198.04475 Da
Monoisotopic Mass: 2.8
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]+	199.05203	139.8
[M+Na]+	221.03397	152.9
[M+NH4]+	216.07857	148.6
[M+K]+	237.00791	146.3
[M-H]-	197.03747	141.6
[M+Na-2H]-	219.01942	146.8
[M]+	198.04420	142.4
[M]-	198.04530	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe