CID 165996748

3-(propan-2-yl)-1,2-oxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO3S
SMILES
CC(C)C1=NOC(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO3S/c1-4(2)5-3-6(11-8-5)12(7,9)10/h3-4H,1-2H3
InChIKey
IZUBTRSSZARPJZ-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,2-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.99135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99863 138.9
[M+Na]+ 231.98057 149.9
[M-H]- 207.98407 143.2
[M+NH4]+ 227.02517 158.7
[M+K]+ 247.95451 148.3
[M+H-H2O]+ 191.98861 134.8
[M+HCOO]- 253.98955 151.7
[M+CH3COO]- 268.00520 179.4
[M+Na-2H]- 229.96602 142.3
[M]+ 208.99080 145.5
[M]- 208.99190 145.5
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.