CID 125424534

Methyl 5-(fluorosulfonyl)-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C5H4FNO5S
SMILES
COC(=O)C1=NOC(=C1)S(=O)(=O)F
InChI
InChI=1S/C5H4FNO5S/c1-11-5(8)3-2-4(12-7-3)13(6,9)10/h2H,1H3
InChIKey
QTPGOMWQOARRQY-UHFFFAOYSA-N
Compound name
methyl 5-fluorosulfonyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.97942 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.986696 135.2
[M+Na]+ 231.968638 146.0
[M-H]- 207.972144 138.1
[M+NH4]+ 227.013243 153.8
[M+K]+ 247.942578 146.4
[M+H-H2O]+ 191.976680 129.4
[M+HCOO]- 253.977621 152.7
[M+CH3COO]- 267.993271 177.9
[M+Na-2H]- 229.954086 139.5
[M]+ 208.97887142 140.8
[M]- 208.97996858 140.8
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.