CID 723408

2-chloro-n-(2-ethyl-6-methylphenyl)benzamide

Structural Information

Molecular Formula

C₁₆H₁₆ClNO

SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H16ClNO/c1-3-12-8-6-7-11(2)15(12)18-16(19)13-9-4-5-10-14(13)17/h4-10H,3H2,1-2H3,(H,18,19)

InChIKey

PQEPZABXTQTLNA-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethyl-6-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.09204 Da
Monoisotopic Mass: 4.5
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]+	274.099316	162.1
[M+Na]+	296.081258	170.7
[M-H]-	272.084764	169.0
[M+NH4]+	291.125863	179.3
[M+K]+	312.055198	164.9
[M+H-H2O]+	256.089300	155.4
[M+HCOO]-	318.090241	181.7
[M+CH3COO]-	332.105891	201.4
[M+Na-2H]-	294.066706	165.5
[M]+	273.09149142	164.6
[M]-	273.09258858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.