CID 4988150

26120-88-7

Structural Information

Molecular Formula

C₆H₃Cl₂FO₂S

SMILES

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

InChI

InChI=1S/C6H3Cl2FO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H

InChIKey

CMKPMVNTHXKTRR-UHFFFAOYSA-N

Compound name

2,4-dichlorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 227.92148 Da
Monoisotopic Mass: 2.8
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]+	228.928756	134.6
[M+Na]+	250.910698	146.8
[M-H]-	226.914204	137.9
[M+NH4]+	245.955303	155.0
[M+K]+	266.884638	141.4
[M+H-H2O]+	210.918740	131.0
[M+HCOO]-	272.919681	143.5
[M+CH3COO]-	286.935331	182.4
[M+Na-2H]-	248.896146	138.8
[M]+	227.92093142	139.0
[M]-	227.92202858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe