CID 10912274

Benzeneethanol, 4-bromo-2,5-dimethoxy-

Structural Information

Molecular Formula

C₁₀H₁₃BrO₃

SMILES

COC1=CC(=C(C=C1CCO)OC)Br

InChI

InChI=1S/C10H13BrO3/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6,12H,3-4H2,1-2H3

InChIKey

NELSEKTYFXJUEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 28
Patents: 260.00482 Da
Monoisotopic Mass: 2.4
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]+	261.01210	147.3
[M+Na]+	282.99404	159.3
[M-H]-	258.99754	152.7
[M+NH4]+	278.03864	167.7
[M+K]+	298.96798	148.7
[M+H-H2O]+	243.00208	147.3
[M+HCOO]-	305.00302	168.0
[M+CH3COO]-	319.01867	191.2
[M+Na-2H]-	280.97949	153.3
[M]+	260.00427	169.4
[M]-	260.00537	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe