CID 14365710

6-bromo-3-ethylphthalide

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

CCC1C2=C(C=C(C=C2)Br)C(=O)O1

InChI

InChI=1S/C10H9BrO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h3-5,9H,2H2,1H3

InChIKey

UGUYFSKFXCUNFI-UHFFFAOYSA-N

Compound name

6-bromo-3-ethyl-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.97859 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]+	240.98587	145.0
[M+Na]+	262.96781	148.6
[M+NH4]+	258.01241	150.4
[M+K]+	278.94175	149.8
[M-H]-	238.97131	146.7
[M+Na-2H]-	260.95326	146.6
[M]+	239.97804	144.8
[M]-	239.97914	144.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.