CID 118561819

1,4-phenylene bis(sulfurofluoridate)

Structural Information

Molecular Formula

C₆H₄F₂O₆S₂

SMILES

C1=CC(=CC=C1OS(=O)(=O)F)OS(=O)(=O)F

InChI

InChI=1S/C6H4F2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H

InChIKey

OEJXDBMJMKHHMQ-UHFFFAOYSA-N

Compound name

1,4-bis(fluorosulfonyloxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 273.94174 Da
Monoisotopic Mass: 2.1
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]+	274.94902	149.0
[M+Na]+	296.93096	158.7
[M-H]-	272.93446	150.2
[M+NH4]+	291.97556	165.1
[M+K]+	312.90490	155.4
[M+H-H2O]+	256.93900	141.6
[M+HCOO]-	318.93994	160.3
[M+CH3COO]-	332.95559	187.4
[M+Na-2H]-	294.91641	153.8
[M]+	273.94119	153.2
[M]-	273.94229	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe