CID 7131837

53656-12-5

Structural Information

Molecular Formula

C₁₃H₁₂ClNO₂

SMILES

C1=CC=C(C=C1)N(CC2=CC=CO2)C(=O)CCl

InChI

InChI=1S/C13H12ClNO2/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h1-8H,9-10H2

InChIKey

BKRYXWOXOXWQPY-UHFFFAOYSA-N

Compound name

2-chloro-N-(furan-2-ylmethyl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.05565 Da
Monoisotopic Mass: 2.5
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]+	250.06293	156.2
[M+Na]+	272.04487	163.3
[M-H]-	248.04837	164.7
[M+NH4]+	267.08947	174.6
[M+K]+	288.01881	161.1
[M+H-H2O]+	232.05291	149.5
[M+HCOO]-	294.05385	177.3
[M+CH3COO]-	308.06950	194.3
[M+Na-2H]-	270.03032	160.8
[M]+	249.05510	160.5
[M]-	249.05620	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe