CID 99191

22243-90-9

Structural Information

Molecular Formula

C₆H₃Cl₂FO₃S

SMILES

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

InChI

InChI=1S/C6H3Cl2FO3S/c7-3-2-6(13(9,11)12)4(8)1-5(3)10/h1-2,10H

InChIKey

XMAAXWXIMDCKNS-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-hydroxybenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.9164 Da
Monoisotopic Mass: 2.6
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]+	244.92368	136.8
[M+Na]+	266.90562	149.2
[M-H]-	242.90912	139.1
[M+NH4]+	261.95022	156.1
[M+K]+	282.87956	143.5
[M+H-H2O]+	226.91366	133.8
[M+HCOO]-	288.91460	144.5
[M+CH3COO]-	302.93025	183.1
[M+Na-2H]-	264.89107	140.2
[M]+	243.91585	141.2
[M]-	243.91695	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe