CID 97182254

1435902-05-8

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

C1=CC2=C(C(=C1)C(=O)CCl)NC=C2

InChI

InChI=1S/C10H8ClNO/c11-6-9(13)8-3-1-2-7-4-5-12-10(7)8/h1-5,12H,6H2

InChIKey

XECUBKDUDDTVMX-UHFFFAOYSA-N

Compound name

2-chloro-1-(1H-indol-7-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.02943 Da
Monoisotopic Mass: 2.4
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	137.7
[M+Na]+	216.01865	148.4
[M-H]-	192.02215	140.0
[M+NH4]+	211.06325	159.0
[M+K]+	231.99259	142.8
[M+H-H2O]+	176.02669	132.4
[M+HCOO]-	238.02763	156.0
[M+CH3COO]-	252.04328	151.4
[M+Na-2H]-	214.00410	144.0
[M]+	193.02888	140.0
[M]-	193.02998	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe