CID 11470602

3,4-dimethoxyphenethyl bromide

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

COC1=C(C=C(C=C1)CCBr)OC

InChI

InChI=1S/C10H13BrO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3

InChIKey

LTAGXVMHLFYRNK-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-1,2-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 267
Patents: 244.00989 Da
Monoisotopic Mass: 2.5
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]+	245.01717	144.8
[M+Na]+	266.99911	148.8
[M+NH4]+	262.04371	149.9
[M+K]+	282.97305	148.0
[M-H]-	243.00261	145.6
[M+Na-2H]-	264.98456	148.5
[M]+	244.00934	144.5
[M]-	244.01044	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe