CID 138991462

Rac-(1r,2r,4s,5r,6r)-3-oxatricyclo[3.2.2.0,2,4]nonane-6-sulfonyl fluoride

Structural Information

Molecular Formula
C8H11FO3S
SMILES
C1C[C@H]2[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)S(=O)(=O)F
InChI
InChI=1S/C8H11FO3S/c9-13(10,11)6-3-4-1-2-5(6)8-7(4)12-8/h4-8H,1-3H2/t4-,5+,6-,7-,8+/m1/s1
InChIKey
BBIQMHSUCCLZFZ-UOLFYFMNSA-N
Compound name
(1R,2R,4S,5R,6R)-3-oxatricyclo[3.2.2.02,4]nonane-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04129 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04857 136.9
[M+Na]+ 229.03051 145.2
[M-H]- 205.03401 136.7
[M+NH4]+ 224.07511 154.8
[M+K]+ 245.00445 143.5
[M+H-H2O]+ 189.03855 131.5
[M+HCOO]- 251.03949 142.2
[M+CH3COO]- 265.05514 148.0
[M+Na-2H]- 227.01596 147.7
[M]+ 206.04074 143.7
[M]- 206.04184 143.7
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.