CID 97631

30672-70-9

Structural Information

Molecular Formula

C₆H₄ClFO₄S₂

SMILES

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

InChI

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

InChIKey

UHOQOZLYSJNPJR-UHFFFAOYSA-N

Compound name

2-chlorosulfonylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
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]+	258.929636	144.9
[M+Na]+	280.911578	155.9
[M-H]-	256.915084	148.2
[M+NH4]+	275.956183	163.1
[M+K]+	296.885518	150.5
[M+H-H2O]+	240.919620	140.1
[M+HCOO]-	302.920561	152.5
[M+CH3COO]-	316.936211	184.2
[M+Na-2H]-	278.897026	149.4
[M]+	257.92181142	149.4
[M]-	257.92290858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe