CID 122236102

Methyl 4-(fluorosulfonyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C6H5FO4S2
SMILES
COC(=O)C1=CC(=CS1)S(=O)(=O)F
InChI
InChI=1S/C6H5FO4S2/c1-11-6(8)5-2-4(3-12-5)13(7,9)10/h2-3H,1H3
InChIKey
YVRNJRURGNQJTE-UHFFFAOYSA-N
Compound name
methyl 4-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 142.8
[M+Na]+ 246.95055 152.9
[M-H]- 222.95405 145.8
[M+NH4]+ 241.99515 163.4
[M+K]+ 262.92449 150.1
[M+H-H2O]+ 206.95859 137.3
[M+HCOO]- 268.95953 155.8
[M+CH3COO]- 282.97518 181.0
[M+Na-2H]- 244.93600 143.4
[M]+ 223.96078 147.1
[M]- 223.96188 147.1
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.