CID 121552338

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

Structural Information

Molecular Formula
C5H4ClNO5S
SMILES
COC(=O)C1=NOC(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO5S/c1-11-5(8)3-2-4(12-7-3)13(6,9)10/h2H,1H3
InChIKey
JEVCRQSSHAJMFH-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.94987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.95715 139.1
[M+Na]+ 247.93909 150.4
[M-H]- 223.94259 143.6
[M+NH4]+ 242.98369 158.0
[M+K]+ 263.91303 149.5
[M+H-H2O]+ 207.94713 135.0
[M+HCOO]- 269.94807 153.0
[M+CH3COO]- 283.96372 179.1
[M+Na-2H]- 245.92454 143.5
[M]+ 224.94932 147.4
[M]- 224.95042 147.4
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.