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]+ 181.03293 133.7
[M+Na]+ 203.01487 143.2
[M-H]- 179.01837 136.6
[M+NH4]+ 198.05947 158.4
[M+K]+ 218.98881 143.1
[M+H-H2O]+ 163.02291 130.8
[M+HCOO]- 225.02385 148.7
[M+CH3COO]- 239.03950 175.0
[M+Na-2H]- 201.00032 137.6
[M]+ 180.02510 135.6
[M]- 180.02620 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.