CID 22831914

304445-49-6

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC(=C(C=C1)Br)F

InChI

InChI=1S/C8H6BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

InChIKey

VCTWSAITPPCBHI-UHFFFAOYSA-N

Compound name

1-(4-bromo-3-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 224
Patents: 215.9586 Da
Monoisotopic Mass: 2.4
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]+	216.96588	136.9
[M+Na]+	238.94782	140.6
[M+NH4]+	233.99242	141.7
[M+K]+	254.92176	140.3
[M-H]-	214.95132	136.5
[M+Na-2H]-	236.93327	140.4
[M]+	215.95805	136.1
[M]-	215.95915	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe