CID 14257492

120257-03-6

Structural Information

Molecular Formula

C₇H₄FNO₃S

SMILES

C1=CC(=C2C(=C1)S(=O)(=O)NC2=O)F

InChI

InChI=1S/C7H4FNO3S/c8-4-2-1-3-5-6(4)7(10)9-13(5,11)12/h1-3H,(H,9,10)

InChIKey

CPWDUBMIXGCDKY-UHFFFAOYSA-N

Compound name

4-fluoro-1,1-dioxo-1,2-benzothiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 200.9896 Da
Monoisotopic Mass: 0.5
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]+	201.99688	138.7
[M+Na]+	223.97882	149.5
[M+NH4]+	219.02342	147.2
[M+K]+	239.95276	142.4
[M-H]-	199.98232	137.2
[M+Na-2H]-	221.96427	143.0
[M]+	200.98905	140.1
[M]-	200.99015	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe