CID 3411566

5-bromoindoline

Structural Information

Molecular Formula

SMILES

C1CNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

InChIKey

QEDCHCLHHGGYBT-UHFFFAOYSA-N

Compound name

5-bromo-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1428
Patents: 196.98401 Da
Monoisotopic Mass: 2.9
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]+	197.99129	137.7
[M+Na]+	219.97323	140.8
[M+NH4]+	215.01783	143.7
[M+K]+	235.94717	141.3
[M-H]-	195.97673	138.1
[M+Na-2H]-	217.95868	140.4
[M]+	196.98346	137.0
[M]-	196.98456	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe