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: 237
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	144.2
[M+Na]+	223.05410	154.2
[M+NH4]+	218.09870	150.6
[M+K]+	239.02804	148.9
[M-H]-	199.05760	142.2
[M+Na-2H]-	221.03955	149.3
[M]+	200.06433	144.8
[M]-	200.06543	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe