CID 796578

1-(4-fluorobenzenesulfonyl)pyrrolidine

Structural Information

Molecular Formula
C10H12FNO2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey
BLFZDHIRHPQTDJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)sulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

229.05728 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06456 147.4
[M+Na]+ 252.04650 155.9
[M-H]- 228.05000 151.8
[M+NH4]+ 247.09110 166.3
[M+K]+ 268.02044 152.6
[M+H-H2O]+ 212.05454 140.3
[M+HCOO]- 274.05548 162.9
[M+CH3COO]- 288.07113 183.6
[M+Na-2H]- 250.03195 149.3
[M]+ 229.05673 146.3
[M]- 229.05783 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe