CID 303527

23383-92-8

Structural Information

Molecular Formula

C₆H₄ClFO₃S

SMILES

C1=CC(=C(C=C1Cl)S(=O)(=O)F)O

InChI

InChI=1S/C6H4ClFO3S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3,9H

InChIKey

CHHKVSZCAUJWMQ-UHFFFAOYSA-N

Compound name

5-chloro-2-hydroxybenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.95537 Da
Monoisotopic Mass: 2.5
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]+	210.96265	137.6
[M+Na]+	232.94459	149.6
[M+NH4]+	227.98919	145.1
[M+K]+	248.91853	142.8
[M-H]-	208.94809	136.6
[M+Na-2H]-	230.93004	142.6
[M]+	209.95482	139.6
[M]-	209.95592	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe