CID 131593253

2092694-14-7

Structural Information

Molecular Formula
C7H8ClNO4S
SMILES
C1COCC2=C1ON=C2CS(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO4S/c8-14(10,11)4-6-5-3-12-2-1-7(5)13-9-6/h1-4H2
InChIKey
HJIWDPRJFWAAJE-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.98625 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.993526 144.3
[M+Na]+ 259.975468 154.5
[M-H]- 235.978974 149.3
[M+NH4]+ 255.020073 162.5
[M+K]+ 275.949408 153.8
[M+H-H2O]+ 219.983510 140.5
[M+HCOO]- 281.984451 154.4
[M+CH3COO]- 296.000101 182.1
[M+Na-2H]- 257.960916 150.5
[M]+ 236.98570142 150.2
[M]- 236.98679858 150.2
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.