CID 121737

30672-72-1

Structural Information

Molecular Formula

C₆H₄ClFO₄S₂

SMILES

C1=CC(=CC=C1S(=O)(=O)F)S(=O)(=O)Cl

InChI

InChI=1S/C6H4ClFO4S2/c7-13(9,10)5-1-3-6(4-2-5)14(8,11)12/h1-4H

InChIKey

SUSSWTNBQQOZNN-UHFFFAOYSA-N

Compound name

4-chlorosulfonylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 257.92236 Da
Monoisotopic Mass: 1.7
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]+	258.92964	152.3
[M+Na]+	280.91158	162.6
[M+NH4]+	275.95618	158.7
[M+K]+	296.88552	154.8
[M-H]-	256.91508	150.2
[M+Na-2H]-	278.89703	156.0
[M]+	257.92181	154.2
[M]-	257.92291	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe