CID 3855369

328028-26-8

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₂S

SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)N)F

InChI

InChI=1S/C12H11FN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2

InChIKey

DEYJEQBTSCQVKR-UHFFFAOYSA-N

Compound name

3-amino-N-(2-fluorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.05252 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]+	267.05980	154.4
[M+Na]+	289.04174	163.0
[M-H]-	265.04524	159.9
[M+NH4]+	284.08634	170.5
[M+K]+	305.01568	157.7
[M+H-H2O]+	249.04978	146.3
[M+HCOO]-	311.05072	173.7
[M+CH3COO]-	325.06637	197.0
[M+Na-2H]-	287.02719	159.3
[M]+	266.05197	153.2
[M]-	266.05307	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe