CID 227314

5453-65-6

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)CCl

InChI

InChI=1S/C12H10ClNO/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,14,15)

InChIKey

WGOVKTOWGFKZED-UHFFFAOYSA-N

Compound name

2-chloro-N-naphthalen-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 219.04509 Da
Monoisotopic Mass: 3.0
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]+	220.05237	144.5
[M+Na]+	242.03431	153.1
[M-H]-	218.03781	148.9
[M+NH4]+	237.07891	164.6
[M+K]+	258.00825	148.0
[M+H-H2O]+	202.04235	139.1
[M+HCOO]-	264.04329	163.9
[M+CH3COO]-	278.05894	188.9
[M+Na-2H]-	240.01976	152.3
[M]+	219.04454	146.1
[M]-	219.04564	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe