CID 45792644

1161930-99-9

Structural Information

Molecular Formula

C₆H₇FN₂O₂S

SMILES

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

InChI

InChI=1S/C6H7FN2O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)

InChIKey

XZFGOCSYBRXBPU-UHFFFAOYSA-N

Compound name

2-amino-6-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.02122 Da
Monoisotopic Mass: 0.5
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]+	191.02850	133.5
[M+Na]+	213.01044	143.1
[M-H]-	189.01394	135.8
[M+NH4]+	208.05504	152.7
[M+K]+	228.98438	139.4
[M+H-H2O]+	173.01848	127.1
[M+HCOO]-	235.01942	152.4
[M+CH3COO]-	249.03507	182.4
[M+Na-2H]-	210.99589	137.4
[M]+	190.02067	131.4
[M]-	190.02177	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe