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]+ 209.98670 135.2
[M+Na]+ 231.96864 146.0
[M-H]- 207.97214 138.1
[M+NH4]+ 227.01324 153.8
[M+K]+ 247.94258 146.4
[M+H-H2O]+ 191.97668 129.4
[M+HCOO]- 253.97762 152.7
[M+CH3COO]- 267.99327 177.9
[M+Na-2H]- 229.95409 139.5
[M]+ 208.97887 140.8
[M]- 208.97997 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.