CID 131368720

Tert-butyl 3-(fluorosulfonyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16FNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)F
InChI
InChI=1S/C9H16FNO4S/c1-9(2,3)15-8(12)11-5-4-7(6-11)16(10,13)14/h7H,4-6H2,1-3H3
InChIKey
JOPWFCARHAOTLY-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluorosulfonylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07841 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08569 154.6
[M+Na]+ 276.06763 162.0
[M-H]- 252.07113 155.7
[M+NH4]+ 271.11223 172.8
[M+K]+ 292.04157 161.2
[M+H-H2O]+ 236.07567 149.0
[M+HCOO]- 298.07661 166.8
[M+CH3COO]- 312.09226 187.6
[M+Na-2H]- 274.05308 155.3
[M]+ 253.07786 156.3
[M]- 253.07896 156.3
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.