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 152.6
[M+Na]+ 310.02865 159.1
[M-H]- 286.03215 153.6
[M+NH4]+ 305.07325 163.8
[M+K]+ 326.00259 159.6
[M+H-H2O]+ 270.03669 143.2
[M+HCOO]- 332.03763 159.2
[M+CH3COO]- 346.05328 195.7
[M+Na-2H]- 308.01410 155.7
[M]+ 287.03888 165.9
[M]- 287.03998 165.9
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.