CID 53629305

N-(4-fluorophenyl)aminosulfonamide

Structural Information

Molecular Formula

C₆H₇FN₂O₂S

SMILES

C1=CC(=CC=C1NS(=O)(=O)N)F

InChI

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

InChIKey

PJCCRMJOMMXOBW-UHFFFAOYSA-N

Compound name

1-fluoro-4-(sulfamoylamino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
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]+	191.028496	133.2
[M+Na]+	213.010438	141.9
[M-H]-	189.013944	135.6
[M+NH4]+	208.055043	152.4
[M+K]+	228.984378	138.6
[M+H-H2O]+	173.018480	126.5
[M+HCOO]-	235.019421	152.8
[M+CH3COO]-	249.035071	181.8
[M+Na-2H]-	210.995886	138.8
[M]+	190.02067142	131.7
[M]-	190.02176858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe