CID 828071

3-chloro-n-(1-naphthyl)benzamide

Structural Information

Molecular Formula

C₁₇H₁₂ClNO

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H12ClNO/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20)

InChIKey

BYFNQYKVOSWXND-UHFFFAOYSA-N

Compound name

3-chloro-N-naphthalen-1-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.06073 Da
Monoisotopic Mass: 3.9
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]+	282.068006	161.7
[M+Na]+	304.049948	170.4
[M-H]-	280.053454	169.2
[M+NH4]+	299.094553	179.0
[M+K]+	320.023888	163.7
[M+H-H2O]+	264.057990	154.5
[M+HCOO]-	326.058931	180.8
[M+CH3COO]-	340.074581	173.9
[M+Na-2H]-	302.035396	168.6
[M]+	281.06018142	163.1
[M]-	281.06127858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe