CID 11117126

1634-53-3

Structural Information

Molecular Formula

SMILES

CC1=CC=C(O1)C(=O)CBr

InChI

InChI=1S/C7H7BrO2/c1-5-2-3-7(10-5)6(9)4-8/h2-3H,4H2,1H3

InChIKey

TWJPAIWNJRAWKH-UHFFFAOYSA-N

Compound name

2-bromo-1-(5-methylfuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 201.96294 Da
Monoisotopic Mass: 2.2
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]+	202.97022	136.5
[M+Na]+	224.95216	138.9
[M+NH4]+	219.99676	141.2
[M+K]+	240.92610	141.3
[M-H]-	200.95566	137.2
[M+Na-2H]-	222.93761	138.4
[M]+	201.96239	135.7
[M]-	201.96349	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe