CID 119056968

7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H9FO3S
SMILES
C1CC2C(CC1O2)S(=O)(=O)F
InChI
InChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2
InChIKey
IZEWVMLWIPUQNA-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02565 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.032926 133.7
[M+Na]+ 203.014868 143.2
[M-H]- 179.018374 136.6
[M+NH4]+ 198.059473 158.4
[M+K]+ 218.988808 143.1
[M+H-H2O]+ 163.022910 130.8
[M+HCOO]- 225.023851 148.7
[M+CH3COO]- 239.039501 175.0
[M+Na-2H]- 201.000316 137.6
[M]+ 180.02510142 135.6
[M]- 180.02619858 135.6
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.