CID 934321

17716-91-5

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CN1C=C(C2=CC=CC=C21)C(=O)CCl

InChI

InChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3

InChIKey

JTCYBIQASPKCFC-UHFFFAOYSA-N

Compound name

2-chloro-1-(1-methylindol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 207.04509 Da
Monoisotopic Mass: 2.6
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	140.7
[M+Na]+	230.03431	155.7
[M+NH4]+	225.07891	150.1
[M+K]+	246.00825	149.7
[M-H]-	206.03781	142.8
[M+Na-2H]-	228.01976	147.7
[M]+	207.04454	143.8
[M]-	207.04564	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe