CID 13301601

102292-30-8

Structural Information

Molecular Formula

SMILES

CC1CC2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3

InChIKey

FEPPMMHYULGHKP-UHFFFAOYSA-N

Compound name

5-bromo-2-methyl-2,3-dihydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 211.98367 Da
Monoisotopic Mass: 3.1
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]+	212.99095	138.5
[M+Na]+	234.97289	142.5
[M+NH4]+	230.01749	144.9
[M+K]+	250.94683	143.3
[M-H]-	210.97639	140.9
[M+Na-2H]-	232.95834	141.1
[M]+	211.98312	138.6
[M]-	211.98422	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe