CID 735851

227199-07-7

Structural Information

Molecular Formula

C₉H₈ClNO₃

SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCl

InChI

InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)

InChIKey

HBIYZYYNHWRQMC-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 40
Patents: 213.01927 Da
Monoisotopic Mass: 1.4
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]+	214.02655	141.3
[M+Na]+	236.00849	153.2
[M+NH4]+	231.05309	149.9
[M+K]+	251.98243	149.7
[M-H]-	212.01199	145.7
[M+Na-2H]-	233.99394	145.5
[M]+	213.01872	144.4
[M]-	213.01982	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe