CID 137964481

5-chloro-3-ethyl-1,2-oxazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H5Cl2NO3S
SMILES
CCC1=NOC(=C1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C5H5Cl2NO3S/c1-2-3-4(12(7,9)10)5(6)11-8-3/h2H2,1H3
InChIKey
LDSBEIFOQIPCIH-UHFFFAOYSA-N
Compound name
5-chloro-3-ethyl-1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.93672 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.94400 140.9
[M+Na]+ 251.92594 153.3
[M-H]- 227.92944 144.9
[M+NH4]+ 246.97054 160.4
[M+K]+ 267.89988 150.2
[M+H-H2O]+ 211.93398 137.6
[M+HCOO]- 273.93492 149.7
[M+CH3COO]- 287.95057 181.5
[M+Na-2H]- 249.91139 144.2
[M]+ 228.93617 148.5
[M]- 228.93727 148.5
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.