CID 18974426

1,2-oxazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C3H2ClNO3S
SMILES
C1=C(C=NO1)S(=O)(=O)Cl
InChI
InChI=1S/C3H2ClNO3S/c4-9(6,7)3-1-5-8-2-3/h1-2H
InChIKey
QTUGUGPSTFTDBR-UHFFFAOYSA-N
Compound name
1,2-oxazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

166.9444 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.95168 126.0
[M+Na]+ 189.93362 137.7
[M-H]- 165.93712 130.3
[M+NH4]+ 184.97822 147.2
[M+K]+ 205.90756 136.4
[M+H-H2O]+ 149.94166 122.0
[M+HCOO]- 211.94260 140.8
[M+CH3COO]- 225.95825 168.4
[M+Na-2H]- 187.91907 132.4
[M]+ 166.94385 131.7
[M]- 166.94495 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe