CID 4868392

2-chloro-1-(1h-indol-3-yl)propan-1-one

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)Cl

InChI

InChI=1S/C11H10ClNO/c1-7(12)11(14)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3

InChIKey

ITKRRBMAMUDWMP-UHFFFAOYSA-N

Compound name

2-chloro-1-(1H-indol-3-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 207.04509 Da
Monoisotopic Mass: 3.1
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]+	208.05237	141.5
[M+Na]+	230.03431	155.3
[M+NH4]+	225.07891	150.5
[M+K]+	246.00825	150.2
[M-H]-	206.03781	142.9
[M+Na-2H]-	228.01976	147.8
[M]+	207.04454	144.1
[M]-	207.04564	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe