CID 155821842

3,5-dibromopyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₂Br₂FNO₂S

SMILES

C1=C(C(=C(C=N1)Br)S(=O)(=O)F)Br

InChI

InChI=1S/C5H2Br2FNO2S/c6-3-1-9-2-4(7)5(3)12(8,10)11/h1-2H

InChIKey

JOZOEQTZVKLFET-UHFFFAOYSA-N

Compound name

3,5-dibromopyridine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.8157 Da
Monoisotopic Mass: 2.0
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]+	317.822976	124.8
[M+Na]+	339.804918	138.7
[M-H]-	315.808424	130.7
[M+NH4]+	334.849523	143.4
[M+K]+	355.778858	122.6
[M+H-H2O]+	299.812960	133.1
[M+HCOO]-	361.813901	136.5
[M+CH3COO]-	375.829551	201.5
[M+Na-2H]-	337.790366	133.0
[M]+	316.81515142	160.3
[M]-	316.81624858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.