CID 209006

19071-62-6

Structural Information

Molecular Formula

C₁₆H₁₆ClNO

SMILES

C1=CC=C(C=C1)CC(CCl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16ClNO/c17-12-15(11-13-7-3-1-4-8-13)18-16(19)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)

InChIKey

PPDXKKJMVOBAND-UHFFFAOYSA-N

Compound name

N-(1-chloro-3-phenylpropan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.09204 Da
Monoisotopic Mass: 3.8
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]+	274.099316	162.7
[M+Na]+	296.081258	168.2
[M-H]-	272.084764	168.5
[M+NH4]+	291.125863	178.8
[M+K]+	312.055198	162.7
[M+H-H2O]+	256.089300	155.5
[M+HCOO]-	318.090241	181.3
[M+CH3COO]-	332.105891	198.8
[M+Na-2H]-	294.066706	167.1
[M]+	273.09149142	163.5
[M]-	273.09258858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe