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

1
Patents

219.00015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.007426 139.4
[M+Na]+ 241.989368 149.3
[M-H]- 217.992874 141.2
[M+NH4]+ 237.033973 157.0
[M+K]+ 257.963308 147.4
[M+H-H2O]+ 201.997410 132.5
[M+HCOO]- 263.998351 155.9
[M+CH3COO]- 278.014001 181.7
[M+Na-2H]- 239.974816 143.9
[M]+ 218.99960142 142.9
[M]- 219.00069858 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

patents stripe