CID 305677

368-73-0

Structural Information

Molecular Formula

C₆H₆FNO₃S

SMILES

C1=CC(=C(C=C1S(=O)(=O)F)N)O

InChI

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

InChIKey

MUQIAXLUXJLCKS-UHFFFAOYSA-N

Compound name

3-amino-4-hydroxybenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	192.01253	132.9
[M+Na]+	213.99447	142.7
[M-H]-	189.99797	134.3
[M+NH4]+	209.03907	151.9
[M+K]+	229.96841	139.2
[M+H-H2O]+	174.00251	127.0
[M+HCOO]-	236.00345	150.2
[M+CH3COO]-	250.01910	177.6
[M+Na-2H]-	211.97992	137.0
[M]+	191.00470	132.1
[M]-	191.00580	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe