CID 56604704

3-bromo-2,6-difluorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₂BrClF₂O₂S

SMILES

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

InChI

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

InChIKey

IYITVCPKVNTTNA-UHFFFAOYSA-N

Compound name

3-bromo-2,6-difluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	141.8
[M+Na]+	312.85076	145.0
[M+NH4]+	307.89536	145.7
[M+K]+	328.82470	143.9
[M-H]-	288.85426	139.3
[M+Na-2H]-	310.83621	144.1
[M]+	289.86099	140.9
[M]-	289.86209	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe