CID 6483902

1-pyrrolidinesulfonyl chloride

Structural Information

Molecular Formula

C₄H₈ClNO₂S

SMILES

C1CCN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2

InChIKey

JRIQCVWTPGVBBH-UHFFFAOYSA-N

Compound name

pyrrolidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 611
Patents: 168.99643 Da
Monoisotopic Mass: 0.8
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]+	170.003706	132.2
[M+Na]+	191.985648	141.4
[M-H]-	167.989154	134.8
[M+NH4]+	187.030253	154.4
[M+K]+	207.959588	138.9
[M+H-H2O]+	151.993690	127.9
[M+HCOO]-	213.994631	144.3
[M+CH3COO]-	228.010281	170.2
[M+Na-2H]-	189.971096	135.2
[M]+	168.99588142	133.5
[M]-	168.99697858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe