CID 154814484

5-bromo-2-fluoromethanesulfonylpyridine

Structural Information

Molecular Formula

C₆H₅BrFNO₂S

SMILES

C1=CC(=NC=C1Br)S(=O)(=O)CF

InChI

InChI=1S/C6H5BrFNO2S/c7-5-1-2-6(9-3-5)12(10,11)4-8/h1-3H,4H2

InChIKey

WGIOGDGKLLHJGZ-UHFFFAOYSA-N

Compound name

5-bromo-2-(fluoromethylsulfonyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.92084 Da
Monoisotopic Mass: 1.6
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]+	253.928116	132.2
[M+Na]+	275.910058	146.3
[M-H]-	251.913564	137.0
[M+NH4]+	270.954663	152.7
[M+K]+	291.883998	134.5
[M+H-H2O]+	235.918100	132.1
[M+HCOO]-	297.919041	147.6
[M+CH3COO]-	311.934691	185.6
[M+Na-2H]-	273.895506	139.9
[M]+	252.92029142	152.6
[M]-	252.92138858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.