CID 41229

54903-19-4

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

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

InChI

InChI=1S/C14H11NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8,13,16H,(H,15,17)

InChIKey

WTNOZALZHBSNNB-UHFFFAOYSA-N

Compound name

6-[hydroxy(phenyl)methyl]-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.0739 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]+	242.081176	149.7
[M+Na]+	264.063118	159.6
[M-H]-	240.066624	155.1
[M+NH4]+	259.107723	166.0
[M+K]+	280.037058	155.7
[M+H-H2O]+	224.071160	142.9
[M+HCOO]-	286.072101	170.7
[M+CH3COO]-	300.087751	162.7
[M+Na-2H]-	262.048566	156.4
[M]+	241.07335142	151.1
[M]-	241.07444858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe