CID 10242855

149809-31-4

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

C1COC2=C(O1)C=C(C(=C2)N)C(=O)CCl

InChI

InChI=1S/C10H10ClNO3/c11-5-8(13)6-3-9-10(4-7(6)12)15-2-1-14-9/h3-4H,1-2,5,12H2

InChIKey

XIVQDDQILMFQIK-UHFFFAOYSA-N

Compound name

1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 227.03493 Da
Monoisotopic Mass: 1.8
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]+	228.04221	146.9
[M+Na]+	250.02415	155.1
[M-H]-	226.02765	152.1
[M+NH4]+	245.06875	163.8
[M+K]+	265.99809	153.7
[M+H-H2O]+	210.03219	141.6
[M+HCOO]-	272.03313	161.9
[M+CH3COO]-	286.04878	189.3
[M+Na-2H]-	248.00960	153.6
[M]+	227.03438	148.6
[M]-	227.03548	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe