CID 165739948

2742623-68-1

Structural Information

Molecular Formula

C₅H₉BrFNO₂S

SMILES

C1C[C@H](N(C1)S(=O)(=O)F)CBr

InChI

InChI=1S/C5H9BrFNO2S/c6-4-5-2-1-3-8(5)11(7,9)10/h5H,1-4H2/t5-/m0/s1

InChIKey

YXLAMOTXBBHXBT-YFKPBYRVSA-N

Compound name

(2S)-2-(bromomethyl)pyrrolidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.95213 Da
Monoisotopic Mass: 1.4
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]+	245.959406	137.5
[M+Na]+	267.941348	150.4
[M-H]-	243.944854	141.8
[M+NH4]+	262.985953	159.9
[M+K]+	283.915288	139.7
[M+H-H2O]+	227.949390	137.8
[M+HCOO]-	289.950331	151.3
[M+CH3COO]-	303.965981	183.6
[M+Na-2H]-	265.926796	141.5
[M]+	244.95158142	155.6
[M]-	244.95267858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.