CID 162341446

2-(oxan-4-yl)-1,3-oxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H10ClNO4S
SMILES
C1COCCC1C2=NC=C(O2)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S/c9-15(11,12)7-5-10-8(14-7)6-1-3-13-4-2-6/h5-6H,1-4H2
InChIKey
QXZXTSVNGIZQNP-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1,3-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0019 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00918 150.1
[M+Na]+ 273.99112 161.3
[M+NH4]+ 269.03572 157.6
[M+K]+ 289.96506 157.1
[M-H]- 249.99462 153.7
[M+Na-2H]- 271.97657 154.0
[M]+ 251.00135 153.3
[M]- 251.00245 153.3
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.