CID 20788885

487041-08-7

Structural Information

Molecular Formula

C₁₀H₉FINO₃

SMILES

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)I)F)CO

InChI

InChI=1S/C10H9FINO3/c11-8-3-6(1-2-9(8)12)13-4-7(5-14)16-10(13)15/h1-3,7,14H,4-5H2/t7-/m1/s1

InChIKey

DIDJTOBWBNSVKL-SSDOTTSWSA-N

Compound name

(5R)-3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 239
Patents: 336.96112 Da
Monoisotopic Mass: 1.6
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]+	337.96840	153.7
[M+Na]+	359.95034	155.9
[M-H]-	335.95384	150.6
[M+NH4]+	354.99494	165.7
[M+K]+	375.92428	159.6
[M+H-H2O]+	319.95838	142.9
[M+HCOO]-	381.95932	168.1
[M+CH3COO]-	395.97497	194.4
[M+Na-2H]-	357.93579	144.2
[M]+	336.96057	150.1
[M]-	336.96167	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe