CID 575586

2-bromoindene

Structural Information

Molecular Formula

SMILES

C1C2=CC=CC=C2C=C1Br

InChI

InChI=1S/C9H7Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2

InChIKey

CCUYEVNCRQDQRF-UHFFFAOYSA-N

Compound name

2-bromo-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 584
Patents: 193.97311 Da
Monoisotopic Mass: 3.1
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]+	194.98039	135.0
[M+Na]+	216.96233	148.1
[M-H]-	192.96583	142.7
[M+NH4]+	212.00693	161.1
[M+K]+	232.93627	137.2
[M+H-H2O]+	176.97037	136.4
[M+HCOO]-	238.97131	157.9
[M+CH3COO]-	252.98696	151.8
[M+Na-2H]-	214.94778	143.9
[M]+	193.97256	153.5
[M]-	193.97366	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe