CID 532274

2-chloro-n-1-naphthylpropanamide

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)Cl

InChI

InChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)

InChIKey

HZEXEFBFZFWVOD-UHFFFAOYSA-N

Compound name

2-chloro-N-naphthalen-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.06075 Da
Monoisotopic Mass: 2.7
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	149.3
[M+Na]+	256.049968	157.1
[M-H]-	232.053474	153.6
[M+NH4]+	251.094573	168.8
[M+K]+	272.023908	152.4
[M+H-H2O]+	216.058010	143.8
[M+HCOO]-	278.058951	167.4
[M+CH3COO]-	292.074601	192.8
[M+Na-2H]-	254.035416	155.4
[M]+	233.06020142	150.7
[M]-	233.06129858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe