CID 2737451

53631-18-8

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

ITAQNNGDCNFGID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 729
Patents: 215.9586 Da
Monoisotopic Mass: 2.6
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	137.3
[M+Na]+	238.94782	140.7
[M+NH4]+	233.99242	142.1
[M+K]+	254.92176	140.3
[M-H]-	214.95132	136.9
[M+Na-2H]-	236.93327	141.0
[M]+	215.95805	136.4
[M]-	215.95915	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe