CID 66523518

1211516-26-5

Structural Information

Molecular Formula

C₆H₄ClF₅O₂S₂

SMILES

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

InChI

InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-1-3-6(4-2-5)16(8,9,10,11)12/h1-4H

InChIKey

LQEOIYDDOVVHIF-UHFFFAOYSA-N

Compound name

4-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 301.92615 Da
Monoisotopic Mass: 5.2
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]+	302.933426	138.3
[M+Na]+	324.915368	150.1
[M-H]-	300.918874	136.6
[M+NH4]+	319.959973	155.1
[M+K]+	340.889308	143.5
[M+H-H2O]+	284.923410	131.0
[M+HCOO]-	346.924351	141.6
[M+CH3COO]-	360.940001	193.5
[M+Na-2H]-	322.900816	139.0
[M]+	301.92560142	137.1
[M]-	301.92669858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe