CID 3152116

42477-07-6

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCl

InChI

InChI=1S/C10H10ClNO3/c11-6-10(13)12-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H,12,13)

InChIKey

IRXZWUUWXXDGEN-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 227.03493 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]+	228.042206	146.2
[M+Na]+	250.024148	153.5
[M-H]-	226.027654	151.6
[M+NH4]+	245.068753	163.1
[M+K]+	265.998088	152.5
[M+H-H2O]+	210.032190	140.6
[M+HCOO]-	272.033131	161.8
[M+CH3COO]-	286.048781	188.0
[M+Na-2H]-	248.009596	154.7
[M]+	227.03438142	148.3
[M]-	227.03547858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe