CID 15635

1750-46-5

Structural Information

Molecular Formula

C₇H₅ClN₂O₂

SMILES

C1=C2C(=CC(=C1Cl)O)OC(=N2)N

InChI

InChI=1S/C7H5ClN2O2/c8-3-1-4-6(2-5(3)11)12-7(9)10-4/h1-2,11H,(H2,9,10)

InChIKey

DICNWOXTWUJPIQ-UHFFFAOYSA-N

Compound name

2-amino-5-chloro-1,3-benzoxazol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.00395 Da
Monoisotopic Mass: 2.1
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]+	185.01123	131.1
[M+Na]+	206.99317	145.4
[M+NH4]+	202.03777	139.9
[M+K]+	222.96711	141.6
[M-H]-	182.99667	134.2
[M+Na-2H]-	204.97862	137.0
[M]+	184.00340	134.2
[M]-	184.00450	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.