CID 3865646

1-(2-chloropropanoyl)indoline

Structural Information

Molecular Formula

C₁₁H₁₂ClNO

SMILES

CC(C(=O)N1CCC2=CC=CC=C21)Cl

InChI

InChI=1S/C11H12ClNO/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3

InChIKey

DLXVQAFCFXWGFM-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.06075 Da
Monoisotopic Mass: 2.3
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]+	210.06803	143.4
[M+Na]+	232.04997	155.9
[M+NH4]+	227.09457	152.6
[M+K]+	248.02391	150.9
[M-H]-	208.05347	144.8
[M+Na-2H]-	230.03542	148.5
[M]+	209.06020	145.7
[M]-	209.06130	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe