CID 130772088

(3-methoxy-1,2-oxazol-5-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO4S
SMILES
COC1=NOC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO4S/c1-10-5-2-4(11-7-5)3-12(6,8)9/h2H,3H2,1H3
InChIKey
IOEZVUKGUORNQU-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-oxazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.97061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97789 137.4
[M+Na]+ 233.95983 148.9
[M-H]- 209.96333 141.7
[M+NH4]+ 229.00443 157.1
[M+K]+ 249.93377 147.6
[M+H-H2O]+ 193.96787 133.2
[M+HCOO]- 255.96881 151.8
[M+CH3COO]- 269.98446 177.6
[M+Na-2H]- 231.94528 142.5
[M]+ 210.97006 145.7
[M]- 210.97116 145.7
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.