CID 12655451

78739-86-3

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1(COC2=CC=CC=C21)CBr

InChI

InChI=1S/C10H11BrO/c1-10(6-11)7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3

InChIKey

MKNLENXLMBLUQS-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-3-methyl-2H-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.99933 Da
Monoisotopic Mass: 3.0
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]+	227.00661	143.2
[M+Na]+	248.98855	155.7
[M-H]-	224.99205	151.2
[M+NH4]+	244.03315	168.6
[M+K]+	264.96249	146.2
[M+H-H2O]+	208.99659	144.9
[M+HCOO]-	270.99753	163.7
[M+CH3COO]-	285.01318	159.3
[M+Na-2H]-	246.97400	152.4
[M]+	225.99878	163.0
[M]-	225.99988	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.