CID 122220996

1692870-12-4

Structural Information

Molecular Formula

C₇H₇FO₅S₂

SMILES

CS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)F

InChI

InChI=1S/C7H7FO5S2/c1-14(9,10)7-4-2-6(3-5-7)13-15(8,11)12/h2-5H,1H3

InChIKey

OSOIRHOFNJYGET-UHFFFAOYSA-N

Compound name

1-fluorosulfonyloxy-4-methylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.9719 Da
Monoisotopic Mass: 0.9
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]+	254.979176	148.2
[M+Na]+	276.961118	157.9
[M-H]-	252.964624	150.8
[M+NH4]+	272.005723	165.4
[M+K]+	292.935058	154.2
[M+H-H2O]+	236.969160	141.8
[M+HCOO]-	298.970101	160.0
[M+CH3COO]-	312.985751	185.5
[M+Na-2H]-	274.946566	152.7
[M]+	253.97135142	152.5
[M]-	253.97244858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.