CID 215489

2-acetylzoxazolamine

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

C1=CC2=C(C=C1Cl)N=C(O2)CC(=O)N

InChI

InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)12-9(14-7)4-8(11)13/h1-3H,4H2,(H2,11,13)

InChIKey

JSYBNEUCRYGVAR-UHFFFAOYSA-N

Compound name

2-(5-chloro-1,3-benzoxazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 210.0196 Da
Monoisotopic Mass: 1.2
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]+	211.026876	140.9
[M+Na]+	233.008818	152.4
[M-H]-	209.012324	145.2
[M+NH4]+	228.053423	160.6
[M+K]+	248.982758	149.1
[M+H-H2O]+	193.016860	135.3
[M+HCOO]-	255.017801	160.6
[M+CH3COO]-	269.033451	185.4
[M+Na-2H]-	230.994266	147.6
[M]+	210.01905142	145.5
[M]-	210.02014858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe