CID 54594802

Oxane-4-sulfonyl fluoride

Structural Information

Molecular Formula
C5H9FO3S
SMILES
C1COCCC1S(=O)(=O)F
InChI
InChI=1S/C5H9FO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKey
NOECGOQFZUPHLI-UHFFFAOYSA-N
Compound name
oxane-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02565 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03293 128.4
[M+Na]+ 191.01487 135.4
[M-H]- 167.01837 131.1
[M+NH4]+ 186.05947 147.8
[M+K]+ 206.98881 135.4
[M+H-H2O]+ 151.02291 122.7
[M+HCOO]- 213.02385 142.4
[M+CH3COO]- 227.03950 171.6
[M+Na-2H]- 189.00032 133.7
[M]+ 168.02510 126.6
[M]- 168.02620 126.6
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.