CID 155821305

2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO3S
SMILES
C1C2CC1OCC2S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO3S/c7-11(8,9)6-3-10-5-1-4(6)2-5/h4-6H,1-3H2
InChIKey
MFNUFSGMYGINNT-UHFFFAOYSA-N
Compound name
2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.9961 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.003376 133.2
[M+Na]+ 218.985318 139.3
[M-H]- 194.988824 133.0
[M+NH4]+ 214.029923 150.3
[M+K]+ 234.959258 141.9
[M+H-H2O]+ 178.993360 126.7
[M+HCOO]- 240.994301 137.4
[M+CH3COO]- 255.009951 184.7
[M+Na-2H]- 216.970766 144.3
[M]+ 195.99555142 149.1
[M]- 195.99664858 149.1
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.