CID 100912269

1373233-35-2

Structural Information

Molecular Formula
C6H5FO4S2
SMILES
COC(=O)C1=C(C=CS1)S(=O)(=O)F
InChI
InChI=1S/C6H5FO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKey
YLQWEWBWWLVJOT-UHFFFAOYSA-N
Compound name
methyl 3-fluorosulfonylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.96133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96861 148.1
[M+Na]+ 246.95055 155.9
[M+NH4]+ 241.99515 154.5
[M+K]+ 262.92449 150.6
[M-H]- 222.95405 145.8
[M+Na-2H]- 244.93600 149.6
[M]+ 223.96078 149.1
[M]- 223.96188 149.1
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

No patent data available for this compound.