CID 122199365

1803604-30-9

Structural Information

Molecular Formula
C9H15ClFNO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C9H15ClFNO4S/c1-8(2,3)16-7(13)12-4-9(11,5-12)6-17(10,14)15/h4-6H2,1-3H3
InChIKey
IGVVFNVHERMBNK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)-3-fluoroazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.03943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04671 160.4
[M+Na]+ 310.02865 163.6
[M+NH4]+ 305.07325 162.5
[M+K]+ 326.00259 159.5
[M-H]- 286.03215 153.4
[M+Na-2H]- 308.01410 160.4
[M]+ 287.03888 158.2
[M]- 287.03998 158.2
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.