CID 69178

613-53-6

Structural Information

Molecular Formula

C₁₀H₆Br₃N

SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(Br)(Br)Br

InChI

InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H

InChIKey

UDYYQHILRSDDMP-UHFFFAOYSA-N

Compound name

2-(tribromomethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 362
Patents: 376.80505 Da
Monoisotopic Mass: 4.4
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]+	377.81233	144.9
[M+Na]+	399.79427	152.9
[M-H]-	375.79777	150.3
[M+NH4]+	394.83887	159.4
[M+K]+	415.76821	138.5
[M+H-H2O]+	359.80231	160.8
[M+HCOO]-	421.80325	153.8
[M+CH3COO]-	435.81890	156.0
[M+Na-2H]-	397.77972	152.6
[M]+	376.80450	185.6
[M]-	376.80560	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe