CID 219475

5337-94-0

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1(CC2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C10H11BrO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6H2,1-2H3

InChIKey

OTTUXKDHMIKPFI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 225.99933 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]+	227.00661	143.4
[M+Na]+	248.98855	147.3
[M+NH4]+	244.03315	150.9
[M+K]+	264.96249	146.5
[M-H]-	224.99205	145.8
[M+Na-2H]-	246.97400	147.1
[M]+	225.99878	143.8
[M]-	225.99988	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe