CID 12464527

69464-39-7

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC2=C1OCCO2)Br

InChI

InChI=1S/C9H9BrO2/c1-6-7(10)2-3-8-9(6)12-5-4-11-8/h2-3H,4-5H2,1H3

InChIKey

RZIQLZJWVWXWMB-UHFFFAOYSA-N

Compound name

6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 227.97859 Da
Monoisotopic Mass: 2.7
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]+	228.98587	136.9
[M+Na]+	250.96781	141.9
[M+NH4]+	246.01241	143.1
[M+K]+	266.94175	141.9
[M-H]-	226.97131	140.8
[M+Na-2H]-	248.95326	140.1
[M]+	227.97804	137.7
[M]-	227.97914	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe