CID 165987865

(1r,5s)-6-oxa-3-azabicyclo[3.1.0]hexane-3-sulfonyl fluoride

Structural Information

Molecular Formula
C4H6FNO3S
SMILES
C1[C@@H]2[C@@H](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/t3-,4+
InChIKey
BVAWGIQITBCKSK-ZXZARUISSA-N
Compound name
(1R,5S)-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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.