CID 2778903

4-bromo-2-fluorobenzenesulphonamide

Structural Information

Molecular Formula

C₆H₅BrFNO₂S

SMILES

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

InChI

InChI=1S/C6H5BrFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

ZCPVDHZKGQQHDS-UHFFFAOYSA-N

Compound name

4-bromo-2-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 252.92084 Da
Monoisotopic Mass: 1.5
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]+	253.928116	133.5
[M+Na]+	275.910058	147.1
[M-H]-	251.913564	139.0
[M+NH4]+	270.954663	154.5
[M+K]+	291.883998	134.6
[M+H-H2O]+	235.918100	133.0
[M+HCOO]-	297.919041	150.0
[M+CH3COO]-	311.934691	188.2
[M+Na-2H]-	273.895506	139.7
[M]+	252.92029142	151.8
[M]-	252.92138858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe