CID 44086

62522-72-9

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

C1=CC=C(C=C1)C(=O)OCC(CF)O

InChI

InChI=1S/C10H11FO3/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

JGVDQMMPENFZTL-UHFFFAOYSA-N

Compound name

(3-fluoro-2-hydroxypropyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.06923 Da
Monoisotopic Mass: 2.0
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]+	199.076506	140.9
[M+Na]+	221.058448	147.2
[M-H]-	197.061954	141.6
[M+NH4]+	216.103053	159.1
[M+K]+	237.032388	145.6
[M+H-H2O]+	181.066490	134.1
[M+HCOO]-	243.067431	161.5
[M+CH3COO]-	257.083081	180.6
[M+Na-2H]-	219.043896	144.9
[M]+	198.06868142	140.4
[M]-	198.06977858	140.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.