CID 121552338

1909326-52-8

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]+ 225.957146 139.1
[M+Na]+ 247.939088 150.4
[M-H]- 223.942594 143.6
[M+NH4]+ 242.983693 158.0
[M+K]+ 263.913028 149.5
[M+H-H2O]+ 207.947130 135.0
[M+HCOO]- 269.948071 153.0
[M+CH3COO]- 283.963721 179.1
[M+Na-2H]- 245.924536 143.5
[M]+ 224.94932142 147.4
[M]- 224.95041858 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.