CID 19959961

173387-83-2

Structural Information

Molecular Formula

C₇H₆BrFO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)CF)Br

InChI

InChI=1S/C7H6BrFO2S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4H,5H2

InChIKey

LCDVQKOYADAUDA-UHFFFAOYSA-N

Compound name

1-bromo-4-(fluoromethylsulfonyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 251.92558 Da
Monoisotopic Mass: 2.3
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]+	252.93286	134.4
[M+Na]+	274.91480	137.1
[M+NH4]+	269.95940	138.8
[M+K]+	290.88874	136.3
[M-H]-	250.91830	133.1
[M+Na-2H]-	272.90025	137.8
[M]+	251.92503	133.6
[M]-	251.92613	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe