CID 55279667

165661-51-8

Structural Information

Molecular Formula

C₆H₃ClF₂O₃S

SMILES

C1=C(C=C(C(=C1F)O)S(=O)(=O)Cl)F

InChI

InChI=1S/C6H3ClF2O3S/c7-13(11,12)5-2-3(8)1-4(9)6(5)10/h1-2,10H

InChIKey

CYSQNLICVNFGRR-UHFFFAOYSA-N

Compound name

3,5-difluoro-2-hydroxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.94595 Da
Monoisotopic Mass: 2.3
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]+	228.95323	133.8
[M+Na]+	250.93517	146.1
[M-H]-	226.93867	135.1
[M+NH4]+	245.97977	153.2
[M+K]+	266.90911	141.1
[M+H-H2O]+	210.94321	128.8
[M+HCOO]-	272.94415	145.4
[M+CH3COO]-	286.95980	181.1
[M+Na-2H]-	248.92062	137.3
[M]+	227.94540	136.1
[M]-	227.94650	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe