CID 118140831

2-chloro-1-(5-chloro-1h-indol-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO

SMILES

C1=CC2=C(C=C1Cl)C=C(N2)C(=O)CCl

InChI

InChI=1S/C10H7Cl2NO/c11-5-10(14)9-4-6-3-7(12)1-2-8(6)13-9/h1-4,13H,5H2

InChIKey

ZQBAZIHPFUEWPX-UHFFFAOYSA-N

Compound name

2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.99046 Da
Monoisotopic Mass: 3.3
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]+	227.997736	143.8
[M+Na]+	249.979678	155.7
[M-H]-	225.983184	145.7
[M+NH4]+	245.024283	164.4
[M+K]+	265.953618	148.8
[M+H-H2O]+	209.987720	139.2
[M+HCOO]-	271.988661	156.9
[M+CH3COO]-	286.004311	157.0
[M+Na-2H]-	247.965126	148.6
[M]+	226.98991142	147.5
[M]-	226.99100858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe