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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99688 133.0
[M+Na]+ 223.97882 145.8
[M-H]- 199.98232 135.0
[M+NH4]+ 219.02342 156.1
[M+K]+ 239.95276 141.7
[M+H-H2O]+ 183.98686 128.2
[M+HCOO]- 245.98780 149.7
[M+CH3COO]- 260.00345 176.3
[M+Na-2H]- 221.96427 137.5
[M]+ 200.98905 134.3
[M]- 200.99015 134.3
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