CID 137935897

2253641-20-0

Structural Information

Molecular Formula

C₅H₂BrF₂NO₂S

SMILES

C1=CN=C(C(=C1Br)F)S(=O)(=O)F

InChI

InChI=1S/C5H2BrF2NO2S/c6-3-1-2-9-5(4(3)7)12(8,10)11/h1-2H

InChIKey

HZFYPPVSAMDMEQ-UHFFFAOYSA-N

Compound name

4-bromo-3-fluoropyridine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.89578 Da
Monoisotopic Mass: 1.8
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]+	257.90306	130.5
[M+Na]+	279.88500	145.7
[M-H]-	255.88850	134.4
[M+NH4]+	274.92960	150.9
[M+K]+	295.85894	133.7
[M+H-H2O]+	239.89304	129.7
[M+HCOO]-	301.89398	145.1
[M+CH3COO]-	315.90963	186.5
[M+Na-2H]-	277.87045	137.4
[M]+	256.89523	149.7
[M]-	256.89633	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.