CID 135564463

2733014-03-2

Structural Information

Molecular Formula

C₄H₈FNO₃S

SMILES

C1CN(C[C@@H]1O)S(=O)(=O)F

InChI

InChI=1S/C4H8FNO3S/c5-10(8,9)6-2-1-4(7)3-6/h4,7H,1-3H2/t4-/m1/s1

InChIKey

ZVNFFXDFDRIAOV-SCSAIBSYSA-N

Compound name

(3R)-3-hydroxypyrrolidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.02089 Da
Monoisotopic Mass: -0.4
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]+	170.02817	130.4
[M+Na]+	192.01011	139.2
[M-H]-	168.01361	130.4
[M+NH4]+	187.05471	151.2
[M+K]+	207.98405	137.7
[M+H-H2O]+	152.01815	125.0
[M+HCOO]-	214.01909	144.8
[M+CH3COO]-	228.03474	169.5
[M+Na-2H]-	189.99556	132.6
[M]+	169.02034	129.0
[M]-	169.02144	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.