CID 56604692

874804-10-1

Structural Information

Molecular Formula

C₆H₂BrClF₂O₂S

SMILES

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

InChI

InChI=1S/C6H2BrClF2O2S/c7-5-3(9)1-2-4(6(5)10)13(8,11)12/h1-2H

InChIKey

PXIPSUBAGXNJEP-UHFFFAOYSA-N

Compound name

3-bromo-2,4-difluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 289.86154 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]+	290.86882	135.2
[M+Na]+	312.85076	151.6
[M-H]-	288.85426	140.7
[M+NH4]+	307.89536	156.7
[M+K]+	328.82470	137.7
[M+H-H2O]+	272.85880	135.9
[M+HCOO]-	334.85974	146.4
[M+CH3COO]-	348.87539	191.5
[M+Na-2H]-	310.83621	140.9
[M]+	289.86099	156.4
[M]-	289.86209	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe