CID 577101

1-(bromoacetyl)indoline

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C1CN(C2=CC=CC=C21)C(=O)CBr

InChI

InChI=1S/C10H10BrNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2

InChIKey

NCHBDJXOHMIGRE-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,3-dihydroindol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 238.99458 Da
Monoisotopic Mass: 2.1
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]+	240.001856	147.1
[M+Na]+	261.983798	158.6
[M-H]-	237.987304	152.9
[M+NH4]+	257.028403	169.9
[M+K]+	277.957738	147.9
[M+H-H2O]+	221.991840	147.2
[M+HCOO]-	283.992781	166.4
[M+CH3COO]-	298.008431	187.4
[M+Na-2H]-	259.969246	153.2
[M]+	238.99403142	165.0
[M]-	238.99512858	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe