CID 50998105

1204572-81-5

Structural Information

Molecular Formula

C₆H₄BrClFNO₂S

SMILES

C1=CC(=C(C(=C1S(=O)(=O)N)F)Cl)Br

InChI

InChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)

InChIKey

NQHLPDSDGOCFQU-UHFFFAOYSA-N

Compound name

4-bromo-3-chloro-2-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 286.88187 Da
Monoisotopic Mass: 1.9
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]+	287.88915	137.7
[M+Na]+	309.87109	153.0
[M-H]-	285.87459	143.6
[M+NH4]+	304.91569	158.6
[M+K]+	325.84503	138.6
[M+H-H2O]+	269.87913	138.4
[M+HCOO]-	331.88007	149.9
[M+CH3COO]-	345.89572	192.8
[M+Na-2H]-	307.85654	143.1
[M]+	286.88132	158.1
[M]-	286.88242	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe