CID 131480229

Methyl 2-(fluorosulfonyl)pyridine-4-carboxylate

Structural Information

Molecular Formula
C7H6FNO4S
SMILES
COC(=O)C1=CC(=NC=C1)S(=O)(=O)F
InChI
InChI=1S/C7H6FNO4S/c1-13-7(10)5-2-3-9-6(4-5)14(8,11)12/h2-4H,1H3
InChIKey
FRNVDGGBKUUIJF-UHFFFAOYSA-N
Compound name
methyl 2-fluorosulfonylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.00015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00743 139.4
[M+Na]+ 241.98937 149.3
[M-H]- 217.99287 141.2
[M+NH4]+ 237.03397 157.0
[M+K]+ 257.96331 147.4
[M+H-H2O]+ 201.99741 132.5
[M+HCOO]- 263.99835 155.9
[M+CH3COO]- 278.01400 181.7
[M+Na-2H]- 239.97482 143.9
[M]+ 218.99960 142.9
[M]- 219.00070 142.9
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

No patent data available for this compound.