CID 10632949

2-benzoxazolinone, 6-benzyl-

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C14H11NO2/c16-14-15-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)

InChIKey

SJUCTTNCWAPOTO-UHFFFAOYSA-N

Compound name

6-benzyl-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.07898 Da
Monoisotopic Mass: 3.1
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]+	226.086256	145.9
[M+Na]+	248.068198	156.8
[M-H]-	224.071704	152.6
[M+NH4]+	243.112803	163.8
[M+K]+	264.042138	152.6
[M+H-H2O]+	208.076240	138.9
[M+HCOO]-	270.077181	169.3
[M+CH3COO]-	284.092831	159.9
[M+Na-2H]-	246.053646	154.1
[M]+	225.07843142	148.3
[M]-	225.07952858	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.