CID 137942462

2287299-56-1

Structural Information

Molecular Formula
C10H15FN2O4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CS(=O)(=O)F)C#N
InChI
InChI=1S/C10H15FN2O4S/c1-9(2,3)17-8(14)13-5-10(4-12,6-13)7-18(11,15)16/h5-7H2,1-3H3
InChIKey
YTZFOPOBZRTBAS-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(fluorosulfonylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.07367 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08095 159.7
[M+Na]+ 301.06289 165.9
[M-H]- 277.06639 160.8
[M+NH4]+ 296.10749 169.0
[M+K]+ 317.03683 169.8
[M+H-H2O]+ 261.07093 142.9
[M+HCOO]- 323.07187 167.6
[M+CH3COO]- 337.08752 206.7
[M+Na-2H]- 299.04834 161.9
[M]+ 278.07312 165.4
[M]- 278.07422 165.4
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.