CID 67043323

7-fluoro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Structural Information

Molecular Formula
C7H4FNO3S
SMILES
C1=CC2=C(C(=C1)F)S(=O)(=O)NC2=O
InChI
InChI=1S/C7H4FNO3S/c8-5-3-1-2-4-6(5)13(11,12)9-7(4)10/h1-3H,(H,9,10)
InChIKey
MHIYEMJXXUANDF-UHFFFAOYSA-N
Compound name
7-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

200.9896 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe