CID 11097214

185406-76-2

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

CC1(CC2=C(C=CC(=C2O1)OC)Br)C

InChI

InChI=1S/C11H13BrO2/c1-11(2)6-7-8(12)4-5-9(13-3)10(7)14-11/h4-5H,6H2,1-3H3

InChIKey

XYSYKOFMYLWSKX-UHFFFAOYSA-N

Compound name

4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 256.0099 Da
Monoisotopic Mass: 3.2
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]+	257.01718	150.7
[M+Na]+	278.99912	154.2
[M+NH4]+	274.04372	157.6
[M+K]+	294.97306	153.8
[M-H]-	255.00262	152.7
[M+Na-2H]-	276.98457	153.5
[M]+	256.00935	150.8
[M]-	256.01045	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe