CID 176897

17133-48-1

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1CN(C2=CC=CC=C21)C(=O)CCl

InChI

InChI=1S/C10H10ClNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2

InChIKey

ARHQTTKUMFDVJJ-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,3-dihydroindol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 195.04509 Da
Monoisotopic Mass: 1.9
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]+	196.05237	138.9
[M+Na]+	218.03431	152.0
[M+NH4]+	213.07891	148.4
[M+K]+	234.00825	146.4
[M-H]-	194.03781	140.6
[M+Na-2H]-	216.01976	144.7
[M]+	195.04454	141.4
[M]-	195.04564	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe