CID 2433223

64614-51-3

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2

InChIKey

HBZKJCDPAUHBFB-UHFFFAOYSA-N

Compound name

2-chloro-5-pyrrolidin-1-ylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 11
Patents: 246.02298 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]+	247.03026	151.7
[M+Na]+	269.01220	161.2
[M-H]-	245.01570	156.2
[M+NH4]+	264.05680	169.5
[M+K]+	284.98614	156.9
[M+H-H2O]+	229.02024	145.3
[M+HCOO]-	291.02118	162.6
[M+CH3COO]-	305.03683	184.5
[M+Na-2H]-	266.99765	153.9
[M]+	246.02243	153.4
[M]-	246.02353	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe