CID 165690979

3-aminophenyl sulfurofluoridate

Structural Information

Molecular Formula

C₆H₆FNO₃S

SMILES

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

InChI

InChI=1S/C6H6FNO3S/c7-12(9,10)11-6-3-1-2-5(8)4-6/h1-4H,8H2

InChIKey

KGNNSDZTJPVJPV-UHFFFAOYSA-N

Compound name

1-amino-3-fluorosulfonyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.00525 Da
Monoisotopic Mass: 1.0
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]+	192.012526	132.9
[M+Na]+	213.994468	142.4
[M-H]-	189.997974	135.5
[M+NH4]+	209.039073	152.5
[M+K]+	229.968408	139.8
[M+H-H2O]+	174.002510	126.6
[M+HCOO]-	236.003451	151.9
[M+CH3COO]-	250.019101	178.9
[M+Na-2H]-	211.979916	138.2
[M]+	191.00470142	133.7
[M]-	191.00579858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe