CID 138040878

2247102-54-9

Structural Information

Molecular Formula
C10H18FNO5S
SMILES
CC(C)(C)OC(=O)N1CC(C1)OCCS(=O)(=O)F
InChI
InChI=1S/C10H18FNO5S/c1-10(2,3)17-9(13)12-6-8(7-12)16-4-5-18(11,14)15/h8H,4-7H2,1-3H3
InChIKey
HQWZLMQYXDUDDG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-fluorosulfonylethoxy)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08896 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09624 158.7
[M+Na]+ 306.07818 162.8
[M-H]- 282.08168 158.9
[M+NH4]+ 301.12278 166.9
[M+K]+ 322.05212 165.4
[M+H-H2O]+ 266.08622 146.1
[M+HCOO]- 328.08716 169.2
[M+CH3COO]- 342.10281 197.5
[M+Na-2H]- 304.06363 159.7
[M]+ 283.08841 171.5
[M]- 283.08951 171.5
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.