CID 721115

293737-93-6

Structural Information

Molecular Formula

C₁₃H₉ClN₂O₂

SMILES

C1=CC(=C(C=C1N)C2=NC3=C(O2)C=CC(=C3)Cl)O

InChI

InChI=1S/C13H9ClN2O2/c14-7-1-4-12-10(5-7)16-13(18-12)9-6-8(15)2-3-11(9)17/h1-6,17H,15H2

InChIKey

CKGKGFIABWHZOO-UHFFFAOYSA-N

Compound name

4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 260.03525 Da
Monoisotopic Mass: 3.0
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]+	261.04253	153.9
[M+Na]+	283.02447	170.5
[M+NH4]+	278.06907	163.0
[M+K]+	298.99841	164.8
[M-H]-	259.02797	159.9
[M+Na-2H]-	281.00992	162.1
[M]+	260.03470	158.4
[M]-	260.03580	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe