CID 145913686

2377031-64-4

Structural Information

Molecular Formula
C12H17FN2O5S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=C(N=CO2)CS(=O)(=O)F
InChI
InChI=1S/C12H17FN2O5S/c1-12(2,3)20-11(16)15-4-8(5-15)10-9(14-7-19-10)6-21(13,17)18/h7-8H,4-6H2,1-3H3
InChIKey
YLCHYDJCTUSJNN-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(fluorosulfonylmethyl)-1,3-oxazol-5-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09151 165.2
[M+Na]+ 343.07345 170.7
[M-H]- 319.07695 168.7
[M+NH4]+ 338.11805 171.3
[M+K]+ 359.04739 173.6
[M+H-H2O]+ 303.08149 152.5
[M+HCOO]- 365.08243 175.6
[M+CH3COO]- 379.09808 203.0
[M+Na-2H]- 341.05890 166.0
[M]+ 320.08368 178.5
[M]- 320.08478 178.5
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.