CID 131091841

2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClNO3S
SMILES
C1C2CN(C1CO2)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO3S/c6-11(8,9)7-2-5-1-4(7)3-10-5/h4-5H,1-3H2
InChIKey
YRJAKTLIUYTNGJ-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.99135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.998626 139.3
[M+Na]+ 219.980568 149.8
[M-H]- 195.984074 142.3
[M+NH4]+ 215.025173 162.8
[M+K]+ 235.954508 148.8
[M+H-H2O]+ 179.988610 137.0
[M+HCOO]- 241.989551 149.7
[M+CH3COO]- 256.005201 175.8
[M+Na-2H]- 217.966016 143.2
[M]+ 196.99080142 143.9
[M]- 196.99189858 143.9
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.