CID 330184

5-(bromomethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

C1CC2=C(C1)C=C(C=C2)CBr

InChI

InChI=1S/C10H11Br/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2

InChIKey

NTBYJOFMYKKLQE-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 210.00441 Da
Monoisotopic Mass: 3.3
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]+	211.011686	142.0
[M+Na]+	232.993628	153.7
[M-H]-	208.997134	149.1
[M+NH4]+	228.038233	167.3
[M+K]+	248.967568	142.7
[M+H-H2O]+	193.001670	143.1
[M+HCOO]-	255.002611	163.1
[M+CH3COO]-	269.018261	157.7
[M+Na-2H]-	230.979076	149.3
[M]+	210.00386142	159.4
[M]-	210.00495858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe