CID 14470619

5-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

CC1(C(=O)C2=C(O1)C=CC(=C2)Br)C

InChI

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

InChIKey

KXZAVFBRFRKEFL-UHFFFAOYSA-N

Compound name

5-bromo-2,2-dimethyl-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 239.97859 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]+	240.98587	145.1
[M+Na]+	262.96781	148.9
[M+NH4]+	258.01241	151.9
[M+K]+	278.94175	148.7
[M-H]-	238.97131	146.9
[M+Na-2H]-	260.95326	148.1
[M]+	239.97804	145.2
[M]-	239.97914	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe