CID 32753

24963-29-9

Structural Information

Molecular Formula

C₉H₆ClNO₃

SMILES

CC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O

InChI

InChI=1S/C9H6ClNO3/c1-5(12)11-7-4-6(10)2-3-8(7)14-9(11)13/h2-4H,1H3

InChIKey

LOYFUELOTCGIOH-UHFFFAOYSA-N

Compound name

3-acetyl-5-chloro-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.00362 Da
Monoisotopic Mass: 1.7
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]+	212.01090	137.1
[M+Na]+	233.99284	152.4
[M+NH4]+	229.03744	145.3
[M+K]+	249.96678	148.4
[M-H]-	209.99634	139.4
[M+Na-2H]-	231.97829	142.9
[M]+	211.00307	140.2
[M]-	211.00417	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.