CID 86182598

16704-38-4

Structural Information

Molecular Formula

C₆H₆FNO₃S

SMILES

C1=CC(=CC=C1N)OS(=O)(=O)F

InChI

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

InChIKey

MHJQCHAKRAVIQL-UHFFFAOYSA-N

Compound name

1-amino-4-fluorosulfonyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 191.00525 Da
Monoisotopic Mass: 1.3
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]+	192.01253	135.6
[M+Na]+	213.99447	145.5
[M+NH4]+	209.03907	142.5
[M+K]+	229.96841	139.6
[M-H]-	189.99797	135.0
[M+Na-2H]-	211.97992	140.6
[M]+	191.00470	137.0
[M]-	191.00580	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe