CID 4991640

N-(2-benzoylphenyl)-2-chloropropanamide

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C16H14ClNO2/c1-11(17)16(20)18-14-10-6-5-9-13(14)15(19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,20)

InChIKey

SOVFDEUNELESDN-UHFFFAOYSA-N

Compound name

N-(2-benzoylphenyl)-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.07132 Da
Monoisotopic Mass: 4.0
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]+	288.078596	164.1
[M+Na]+	310.060538	170.5
[M-H]-	286.064044	170.6
[M+NH4]+	305.105143	179.8
[M+K]+	326.034478	165.7
[M+H-H2O]+	270.068580	157.2
[M+HCOO]-	332.069521	182.2
[M+CH3COO]-	346.085171	202.1
[M+Na-2H]-	308.045986	166.7
[M]+	287.07077142	165.5
[M]-	287.07186858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.