CID 67780

3-aminobenzenesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

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

InChI

InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H,8H2

InChIKey

PLSYVJDMJWGODG-UHFFFAOYSA-N

Compound name

3-aminobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 75
Patents: 175.01033 Da
Monoisotopic Mass: 0.8
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]+	176.01761	132.4
[M+Na]+	197.99955	142.9
[M+NH4]+	193.04415	140.0
[M+K]+	213.97349	136.4
[M-H]-	174.00305	132.5
[M+Na-2H]-	195.98500	137.9
[M]+	175.00978	134.2
[M]-	175.01088	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe