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

1
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 128.9
[M+Na]+ 189.99447 141.0
[M-H]- 165.99797 132.9
[M+NH4]+ 185.03907 145.5
[M+K]+ 205.96841 139.4
[M+H-H2O]+ 150.00251 123.2
[M+HCOO]- 212.00345 143.8
[M+CH3COO]- 226.01910 175.9
[M+Na-2H]- 187.97992 134.3
[M]+ 167.00470 133.7
[M]- 167.00580 133.7
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

patents stripe