CID 50998068

1208075-41-5

Structural Information

Molecular Formula

C₆H₂BrCl₂FO₂S

SMILES

C1=C(C(=CC(=C1Br)Cl)S(=O)(=O)Cl)F

InChI

InChI=1S/C6H2BrCl2FO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H

InChIKey

VNPRKBFETGIANP-UHFFFAOYSA-N

Compound name

4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 305.832 Da
Monoisotopic Mass: 3.4
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]+	306.83928	141.9
[M+Na]+	328.82122	146.5
[M+NH4]+	323.86582	146.7
[M+K]+	344.79516	144.8
[M-H]-	304.82472	140.6
[M+Na-2H]-	326.80667	145.0
[M]+	305.83145	141.9
[M]-	305.83255	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe