CID 2393628

115865-57-1

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

CC(=O)NCC1=CC=C(O1)C(=O)CCl

InChI

InChI=1S/C9H10ClNO3/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12)

InChIKey

CECVWYQULDGTQX-UHFFFAOYSA-N

Compound name

N-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 215.03493 Da
Monoisotopic Mass: 0.8
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]+	216.04221	144.6
[M+Na]+	238.02415	154.7
[M+NH4]+	233.06875	151.6
[M+K]+	253.99809	152.0
[M-H]-	214.02765	146.1
[M+Na-2H]-	236.00960	148.1
[M]+	215.03438	146.4
[M]-	215.03548	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe