CID 22627172

184151-47-1

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

CC(=O)C1=CNC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C10H8ClNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3

InChIKey

KQLYMFKKPNNGQR-UHFFFAOYSA-N

Compound name

1-(6-chloro-1H-indol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 193.02943 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]+	194.03671	137.3
[M+Na]+	216.01865	149.0
[M-H]-	192.02215	140.0
[M+NH4]+	211.06325	159.0
[M+K]+	231.99259	143.5
[M+H-H2O]+	176.02669	132.4
[M+HCOO]-	238.02763	155.6
[M+CH3COO]-	252.04328	151.5
[M+Na-2H]-	214.00410	143.0
[M]+	193.02888	140.1
[M]-	193.02998	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe