CID 13059435

84030-05-7

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

C1C(OC2=CC=CC=C2O1)CCBr

InChI

InChI=1S/C10H11BrO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-7H2

InChIKey

IHKSIYHMJHEJOS-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 241.99425 Da
Monoisotopic Mass: 2.8
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]+	243.001526	145.9
[M+Na]+	264.983468	156.2
[M-H]-	240.986974	153.8
[M+NH4]+	260.028073	165.6
[M+K]+	280.957408	148.3
[M+H-H2O]+	224.991510	146.2
[M+HCOO]-	286.992451	163.4
[M+CH3COO]-	301.008101	187.9
[M+Na-2H]-	262.968916	156.2
[M]+	241.99370142	165.1
[M]-	241.99479858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe