CID 5333

Sulfanilamide

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)N

InChI

InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

InChIKey

FDDDEECHVMSUSB-UHFFFAOYSA-N

Compound name

4-aminobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 7569
References: 72656
Patents: 172.03065 Da
Monoisotopic Mass: -0.6
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]+	173.03793	132.9
[M+Na]+	195.01987	142.7
[M+NH4]+	190.06447	140.5
[M+K]+	210.99381	136.9
[M-H]-	171.02337	134.5
[M+Na-2H]-	193.00532	138.4
[M]+	172.03010	134.9
[M]-	172.03120	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe