CID 155858854

2580224-43-5

Structural Information

Molecular Formula

C₆H₅F₂NO₂S

SMILES

CC1=CC(=NC=C1F)S(=O)(=O)F

InChI

InChI=1S/C6H5F2NO2S/c1-4-2-6(12(8,10)11)9-3-5(4)7/h2-3H,1H3

InChIKey

VJQPXKXAZYEAFV-UHFFFAOYSA-N

Compound name

5-fluoro-4-methylpyridine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.0009 Da
Monoisotopic Mass: 1.4
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]+	194.00818	139.0
[M+Na]+	215.99012	149.8
[M+NH4]+	211.03472	145.3
[M+K]+	231.96406	143.2
[M-H]-	191.99362	136.5
[M+Na-2H]-	213.97557	143.3
[M]+	193.00035	140.0
[M]-	193.00145	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.