CID 137945349

2287289-64-7

Structural Information

Molecular Formula
C7H8ClNO5S
SMILES
CCOC(=O)C1=CC(=NO1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO5S/c1-2-13-7(10)6-3-5(9-14-6)4-15(8,11)12/h3H,2,4H2,1H3
InChIKey
AINQLBKCIGYETO-UHFFFAOYSA-N
Compound name
ethyl 3-(chlorosulfonylmethyl)-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98117 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98845 148.3
[M+Na]+ 275.97039 158.8
[M-H]- 251.97389 152.5
[M+NH4]+ 271.01499 166.1
[M+K]+ 291.94433 157.4
[M+H-H2O]+ 235.97843 143.9
[M+HCOO]- 297.97937 161.6
[M+CH3COO]- 311.99502 185.0
[M+Na-2H]- 273.95584 151.7
[M]+ 252.98062 157.4
[M]- 252.98172 157.4
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.