CID 5323595

68505-84-0

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1(COC2=C1C=C(C=C2)Br)C

InChI

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

InChIKey

GHLAFQZIMFGGDC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 225.99933 Da
Monoisotopic Mass: 3.5
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

literature stripe

Patent stripe

patents stripe