CID 2517699

851814-17-0

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂NO₂

SMILES

C1=CC(=CC=C1C2=CC=C(O2)CNC(=O)CCl)Cl

InChI

InChI=1S/C13H11Cl2NO2/c14-7-13(17)16-8-11-5-6-12(18-11)9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)

InChIKey

NFUTVEFDOQYMMQ-UHFFFAOYSA-N

Compound name

2-chloro-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.0167 Da
Monoisotopic Mass: 3.0
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]+	284.023976	163.2
[M+Na]+	306.005918	172.3
[M-H]-	282.009424	170.0
[M+NH4]+	301.050523	180.5
[M+K]+	321.979858	167.2
[M+H-H2O]+	266.013960	157.6
[M+HCOO]-	328.014901	178.4
[M+CH3COO]-	342.030551	197.7
[M+Na-2H]-	303.991366	166.2
[M]+	283.01615142	168.0
[M]-	283.01724858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe