CID 119031869

Tert-butyl 3-(chlorosulfonyl)-4-fluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H15ClFNO4S
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H15ClFNO4S/c1-9(2,3)16-8(13)12-4-6(11)7(5-12)17(10,14)15/h6-7H,4-5H2,1-3H3
InChIKey
SLWSZYQVFIPGAD-UHFFFAOYSA-N
Compound name
tert-butyl 3-chlorosulfonyl-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.03943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04671 163.4
[M+Na]+ 310.02865 170.1
[M+NH4]+ 305.07325 168.1
[M+K]+ 326.00259 167.5
[M-H]- 286.03215 158.9
[M+Na-2H]- 308.01410 163.1
[M]+ 287.03888 163.3
[M]- 287.03998 163.3
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.