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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.085686	154.6
[M+Na]+	276.067628	162.0
[M-H]-	252.071134	155.7
[M+NH4]+	271.112233	172.8
[M+K]+	292.041568	161.2
[M+H-H2O]+	236.075670	149.0
[M+HCOO]-	298.076611	166.8
[M+CH3COO]-	312.092261	187.6
[M+Na-2H]-	274.053076	155.3
[M]+	253.07786142	156.3
[M]-	253.07895858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.