CID 118671

34375-83-2

Structural Information

Molecular Formula

C₁₃H₉NO₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=COC(=O)N3

InChI

InChI=1S/C13H9NO2/c15-13-14-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,14,15)

InChIKey

CCGBNUKHCLUUFX-UHFFFAOYSA-N

Compound name

4-naphthalen-2-yl-3H-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.06332 Da
Monoisotopic Mass: 2.6
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]+	212.07060	142.0
[M+Na]+	234.05254	158.6
[M+NH4]+	229.09714	151.3
[M+K]+	250.02648	152.9
[M-H]-	210.05604	147.5
[M+Na-2H]-	232.03799	151.4
[M]+	211.06277	146.1
[M]-	211.06387	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe