CID 124710154

Rac-tert-butyl (3r,4s)-3-(chlorosulfonyl)-4-fluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H15ClFNO4S
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](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/t6-,7+/m1/s1
InChIKey
SLWSZYQVFIPGAD-RQJHMYQMSA-N
Compound name
tert-butyl (3S,4R)-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 159.3
[M+Na]+ 310.02865 168.2
[M-H]- 286.03215 161.0
[M+NH4]+ 305.07325 177.3
[M+K]+ 326.00259 165.5
[M+H-H2O]+ 270.03669 154.7
[M+HCOO]- 332.03763 167.0
[M+CH3COO]- 346.05328 192.5
[M+Na-2H]- 308.01410 159.2
[M]+ 287.03888 163.1
[M]- 287.03998 163.1
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.