CID 532063

3-chloro-n-1-naphthylpropanamide

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCl

InChI

InChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)

InChIKey

ISEAPHXDUWABSS-UHFFFAOYSA-N

Compound name

3-chloro-N-naphthalen-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.06075 Da
Monoisotopic Mass: 2.2
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]+	234.068026	149.2
[M+Na]+	256.049968	157.3
[M-H]-	232.053474	153.5
[M+NH4]+	251.094573	168.8
[M+K]+	272.023908	152.1
[M+H-H2O]+	216.058010	143.6
[M+HCOO]-	278.058951	168.3
[M+CH3COO]-	292.074601	191.9
[M+Na-2H]-	254.035416	156.5
[M]+	233.06020142	151.2
[M]-	233.06129858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe