CID 171370397

3-hydroxy-5-methyl-1,2-oxazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClNO4S
SMILES
CC1=C(C(=O)NO1)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO4S/c1-2-3(11(5,8)9)4(7)6-10-2/h1H3,(H,6,7)
InChIKey
FIOFXCMCVBTRES-UHFFFAOYSA-N
Compound name
5-methyl-3-oxo-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.95496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96224 132.6
[M+Na]+ 219.94418 145.1
[M-H]- 195.94768 135.9
[M+NH4]+ 214.98878 152.3
[M+K]+ 235.91812 142.4
[M+H-H2O]+ 179.95222 129.2
[M+HCOO]- 241.95316 145.9
[M+CH3COO]- 255.96881 172.5
[M+Na-2H]- 217.92963 137.0
[M]+ 196.95441 138.2
[M]- 196.95551 138.2
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.