CID 11034248

2-bromo-4,5-dimethoxybenzyl bromide

Structural Information

Molecular Formula

C₉H₁₀Br₂O₂

SMILES

COC1=C(C=C(C(=C1)CBr)Br)OC

InChI

InChI=1S/C9H10Br2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,5H2,1-2H3

InChIKey

PAJNRELOTRXFAQ-UHFFFAOYSA-N

Compound name

1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 307.90475 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]+	308.91203	150.0
[M+Na]+	330.89397	145.7
[M+NH4]+	325.93857	152.1
[M+K]+	346.86791	151.7
[M-H]-	306.89747	150.8
[M+Na-2H]-	328.87942	151.6
[M]+	307.90420	148.6
[M]-	307.90530	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe