CID 14195261

115650-77-6

Structural Information

Molecular Formula

C₆H₃F₃O₂S

SMILES

C1=C(C=C(C=C1F)S(=O)(=O)F)F

InChI

InChI=1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H

InChIKey

JYGATZXHCCSYOB-UHFFFAOYSA-N

Compound name

3,5-difluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 195.98059 Da
Monoisotopic Mass: 1.9
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]+	196.987866	128.6
[M+Na]+	218.969808	140.1
[M-H]-	194.973314	129.6
[M+NH4]+	214.014413	148.8
[M+K]+	234.943748	136.8
[M+H-H2O]+	178.977850	121.2
[M+HCOO]-	240.978791	144.9
[M+CH3COO]-	254.994441	179.4
[M+Na-2H]-	216.955256	132.6
[M]+	195.98004142	127.9
[M]-	195.98113858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe