CID 53929654

4-bromo-2-(bromomethyl)quinoline

Structural Information

Molecular Formula

C₁₀H₇Br₂N

SMILES

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

InChI

InChI=1S/C10H7Br2N/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,6H2

InChIKey

IQFQZZRNPCQDAS-UHFFFAOYSA-N

Compound name

4-bromo-2-(bromomethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 298.89453 Da
Monoisotopic Mass: 3.7
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]+	299.90181	146.4
[M+Na]+	321.88375	143.1
[M+NH4]+	316.92835	149.3
[M+K]+	337.85769	148.4
[M-H]-	297.88725	147.9
[M+Na-2H]-	319.86920	149.2
[M]+	298.89398	145.4
[M]-	298.89508	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe