CID 10631860

Ethyl 2,2-difluoro-2-phenylacetate

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

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

InChI

InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

KCMSDCHUELUJPX-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 200.06488 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]+	201.07216	139.4
[M+Na]+	223.05410	147.1
[M-H]-	199.05760	140.5
[M+NH4]+	218.09870	158.6
[M+K]+	239.02804	145.4
[M+H-H2O]+	183.06214	132.2
[M+HCOO]-	245.06308	159.7
[M+CH3COO]-	259.07873	183.4
[M+Na-2H]-	221.03955	145.4
[M]+	200.06433	138.4
[M]-	200.06543	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe