CID 58652207

1423032-34-1

Structural Information

Molecular Formula
C7H3FO4S
SMILES
C1=CC2=C(C=C1F)C(=O)OS2(=O)=O
InChI
InChI=1S/C7H3FO4S/c8-4-1-2-6-5(3-4)7(9)12-13(6,10)11/h1-3H
InChIKey
CXMLZMCVWCYRLA-UHFFFAOYSA-N
Compound name
5-fluoro-1,1-dioxo-2,1lambda6-benzoxathiol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

201.9736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98088 130.2
[M+Na]+ 224.96282 143.4
[M-H]- 200.96632 135.8
[M+NH4]+ 220.00742 154.1
[M+K]+ 240.93676 141.9
[M+H-H2O]+ 184.97086 126.2
[M+HCOO]- 246.97180 149.1
[M+CH3COO]- 260.98745 178.4
[M+Na-2H]- 222.94827 136.4
[M]+ 201.97305 134.9
[M]- 201.97415 134.9
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