CID 131593253

{4h,6h,7h-pyrano[3,4-d][1,2]oxazol-3-yl}methanesulfonyl chloride

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]+ 237.99353 144.3
[M+Na]+ 259.97547 154.5
[M-H]- 235.97897 149.3
[M+NH4]+ 255.02007 162.5
[M+K]+ 275.94941 153.8
[M+H-H2O]+ 219.98351 140.5
[M+HCOO]- 281.98445 154.4
[M+CH3COO]- 296.00010 182.1
[M+Na-2H]- 257.96092 150.5
[M]+ 236.98570 150.2
[M]- 236.98680 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.