CID 3346404

1-bromo-2-iodo-4,5-dimethoxybenzene

Structural Information

Molecular Formula

C₈H₈BrIO₂

SMILES

COC1=CC(=C(C=C1OC)I)Br

InChI

InChI=1S/C8H8BrIO2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3

InChIKey

SMPDNDHPWVUHMF-UHFFFAOYSA-N

Compound name

1-bromo-2-iodo-4,5-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 341.87524 Da
Monoisotopic Mass: 3.2
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]+	342.88252	149.4
[M+Na]+	364.86446	147.6
[M+NH4]+	359.90906	150.9
[M+K]+	380.83840	149.8
[M-H]-	340.86796	144.9
[M+Na-2H]-	362.84991	142.2
[M]+	341.87469	145.9
[M]-	341.87579	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe