CID 11148583

Ethyl fluoro(phenylthio)acetate

Structural Information

Molecular Formula

C₁₀H₁₁FO₂S

SMILES

CCOC(=O)C(F)SC1=CC=CC=C1

InChI

InChI=1S/C10H11FO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey

LHWIKXHJWRIFPG-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-2-phenylsulfanylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.04637 Da
Monoisotopic Mass: 3.2
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]+	215.05365	143.8
[M+Na]+	237.03559	150.7
[M-H]-	213.03909	146.1
[M+NH4]+	232.08019	162.8
[M+K]+	253.00953	148.4
[M+H-H2O]+	197.04363	136.8
[M+HCOO]-	259.04457	160.3
[M+CH3COO]-	273.06022	185.0
[M+Na-2H]-	235.02104	145.3
[M]+	214.04582	146.0
[M]-	214.04692	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe