CID 3046891

5-(p-fluorobenzyl)-2-oxazolidone

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

C1C(OC(=O)N1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,9H,5-6H2,(H,12,13)

InChIKey

YJQGCMLOVNBRLI-UHFFFAOYSA-N

Compound name

5-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.06955 Da
Monoisotopic Mass: 1.8
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]+	196.076826	138.8
[M+Na]+	218.058768	146.8
[M-H]-	194.062274	142.2
[M+NH4]+	213.103373	156.6
[M+K]+	234.032708	144.4
[M+H-H2O]+	178.066810	131.4
[M+HCOO]-	240.067751	158.3
[M+CH3COO]-	254.083401	178.7
[M+Na-2H]-	216.044216	142.8
[M]+	195.06900142	135.5
[M]-	195.07009858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe