CID 7131064

871217-93-5

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C14H14ClNO2/c15-9-14(17)16(11-13-7-4-8-18-13)10-12-5-2-1-3-6-12/h1-8H,9-11H2

InChIKey

ZXUJFKOISSOAHU-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-(furan-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.07132 Da
Monoisotopic Mass: 2.4
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]+	264.078596	161.1
[M+Na]+	286.060538	167.7
[M-H]-	262.064044	169.3
[M+NH4]+	281.105143	178.8
[M+K]+	302.034478	165.2
[M+H-H2O]+	246.068580	154.1
[M+HCOO]-	308.069521	181.8
[M+CH3COO]-	322.085171	197.3
[M+Na-2H]-	284.045986	165.1
[M]+	263.07077142	165.6
[M]-	263.07186858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.