CID 20511719

2-chloro-benzenesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₄ClFO₂S

SMILES

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

InChI

InChI=1S/C6H4ClFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H

InChIKey

UOECQWWSUHZUMI-UHFFFAOYSA-N

Compound name

2-chlorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 193.96045 Da
Monoisotopic Mass: 2.0
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]+	194.96773	130.0
[M+Na]+	216.94967	141.3
[M-H]-	192.95317	133.5
[M+NH4]+	211.99427	151.1
[M+K]+	232.92361	137.0
[M+H-H2O]+	176.95771	125.3
[M+HCOO]-	238.95865	144.0
[M+CH3COO]-	252.97430	176.5
[M+Na-2H]-	214.93512	135.4
[M]+	193.95990	133.1
[M]-	193.96100	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe