CID 130225172

6-oxa-3-azabicyclo[3.1.0]hexane-3-sulfonyl fluoride

Structural Information

Molecular Formula
C4H6FNO3S
SMILES
C1C2C(O2)CN1S(=O)(=O)F
InChI
InChI=1S/C4H6FNO3S/c5-10(7,8)6-1-3-4(2-6)9-3/h3-4H,1-2H2
InChIKey
BVAWGIQITBCKSK-UHFFFAOYSA-N
Compound name
6-oxa-3-azabicyclo[3.1.0]hexane-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.00525 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01253 138.6
[M+Na]+ 189.99447 148.3
[M+NH4]+ 185.03907 146.2
[M+K]+ 205.96841 146.2
[M-H]- 165.99797 144.1
[M+Na-2H]- 187.97992 141.8
[M]+ 167.00470 142.8
[M]- 167.00580 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.