CID 618887

2-bromo-4,5-dimethoxybenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₁BrO₃

SMILES

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

InChI

InChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3

InChIKey

SDZSRNYOXRHPHZ-UHFFFAOYSA-N

Compound name

(2-bromo-4,5-dimethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 245.98917 Da
Monoisotopic Mass: 1.7
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]+	246.99645	144.2
[M+Na]+	268.97839	147.7
[M+NH4]+	264.02299	148.5
[M+K]+	284.95233	148.0
[M-H]-	244.98189	144.2
[M+Na-2H]-	266.96384	147.0
[M]+	245.98862	143.5
[M]-	245.98972	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe