CID 155475

70217-01-5

Structural Information

Molecular Formula

C₁₃H₈ClNO₃

SMILES

C1=CC(=CC=C1O)OC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C13H8ClNO3/c14-8-1-6-11-12(7-8)18-13(15-11)17-10-4-2-9(16)3-5-10/h1-7,16H

InChIKey

VMFCMPIPSNBHJH-UHFFFAOYSA-N

Compound name

4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 41
Patents: 261.01926 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]+	262.02654	152.0
[M+Na]+	284.00848	169.3
[M+NH4]+	279.05308	161.2
[M+K]+	299.98242	163.4
[M-H]-	260.01198	157.4
[M+Na-2H]-	281.99393	160.9
[M]+	261.01871	156.5
[M]-	261.01981	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe